4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide

C9H16N4O — CID 63106670

IUPAC4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
SMILESCCC(CC)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C9H16N4O/c1-3-6(4-2)12-9(14)8-7(10)5-11-13-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyCOQKAHOLQUXBSY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide

4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 63106670) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
PubChem CID63106670
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
SMILESCCC(CC)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C9H16N4O/c1-3-6(4-2)12-9(14)8-7(10)5-11-13-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyCOQKAHOLQUXBSY-UHFFFAOYSA-N
XLogP0.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
CID 55179184
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627
4-amino-N-[2-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 63102506
4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 114176687
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63102891
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986
methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
CID 63102517
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 63103249

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide (CID 63106670) is 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide is CCC(CC)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is COQKAHOLQUXBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-6(4-2)12-9(14)8-7(10)5-11-13-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide?
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63106670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).