1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

C13H22N4O — CID 113433584

IUPAC1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2(N)CCCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)10-8-11(17-16-10)15-12(18)13(14)6-4-3-5-7-13/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKUEDRIYJTDOZLA-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.13
Rot. Bonds3

About 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 113433584) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID113433584
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2(N)CCCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)10-8-11(17-16-10)15-12(18)13(14)6-4-3-5-7-13/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKUEDRIYJTDOZLA-UHFFFAOYSA-N
XLogP2.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (CID 113433584) is 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is CC(C)c1cc(NC(=O)C2(N)CCCCC2)n[nH]1.
What is the InChIKey of 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is KUEDRIYJTDOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)10-8-11(17-16-10)15-12(18)13(14)6-4-3-5-7-13/h8-9H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113433584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).