4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide

C13H22N4O — CID 55179184

IUPAC4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1[nH]ncc1N)C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-2-11(9-6-4-3-5-7-9)16-13(18)12-10(14)8-15-17-12/h8-9,11H,2-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBHBMEKDYXQCERY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide

4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 55179184) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID55179184
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1[nH]ncc1N)C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-2-11(9-6-4-3-5-7-9)16-13(18)12-10(14)8-15-17-12/h8-9,11H,2-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBHBMEKDYXQCERY-UHFFFAOYSA-N
XLogP2.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
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CID 65358575
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
2-amino-N-(1-cyclohexylpropyl)-1,3-oxazole-5-carboxamide
CID 167984557
4-amino-N-(1-cyclohexylpropyl)-1-methylpyrazole-3-carboxamide
CID 65354049
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674
N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
CID 63050141
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641127

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide (CID 55179184) is 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide is CCC(NC(=O)c1[nH]ncc1N)C1CCCCC1.
What is the InChIKey of 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BHBMEKDYXQCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11(9-6-4-3-5-7-9)16-13(18)12-10(14)8-15-17-12/h8-9,11H,2-7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55179184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).