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Chemical ID: 6403019
Chemical ID:
6403019
Name [?]:
N-cyclopropyl-1H-pyrazole-3-carboxamide
SMILES [?]:
c1c[nH]nc1C(=O)NC2CC2
InChi [?]:
InChI=1/C7H9N3O/c11-7(9-5-1-2-5)6-3-4-8-10-6/h3-5H,1-2H2,(H,8,10)(H,9,11)
InChi Info:
AuxInfo=1/1/N:10,11,1,2,9,5,6,3,8,4,7/E:(1,2)/rA:11nCCNNCCONCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s9;s9s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9N3O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24446 |
Area: | 321.58 |
Solvation: | -1.79505 |
Coulombic: | -31.5517 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.166 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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