4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide

C13H22N4O — CID 62080734

IUPAC4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)C2CCCC(C)C2)c1N
InChIInChI=1S/C13H22N4O/c1-8-5-4-6-10(7-8)17(3)13(18)12-11(14)9(2)15-16-12/h8,10H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyNOBAQDRBXUTDOD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.95
Rot. Bonds2

About 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide

4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080734) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide
PubChem CID62080734
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)C2CCCC(C)C2)c1N
InChIInChI=1S/C13H22N4O/c1-8-5-4-6-10(7-8)17(3)13(18)12-11(14)9(2)15-16-12/h8,10H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyNOBAQDRBXUTDOD-UHFFFAOYSA-N
XLogP1.95
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,5-dimethyl-N-(2-methyloxolan-3-yl)-1H-pyrazole-3-carboxamide
CID 82741840
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
4-amino-N-cycloheptyl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075731
6-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 62159524
N-methyl-N-(3-methylcyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103612541
N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119717301
N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733346
3-amino-N-cycloheptyl-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43614389
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
3-chloro-6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 62237373
2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 115540492
4-amino-N,1-dimethyl-N-(3-methylcyclohexyl)pyrazole-5-carboxamide
CID 65359890

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide (CID 62080734) is 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)C2CCCC(C)C2)c1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NOBAQDRBXUTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-5-4-6-10(7-8)17(3)13(18)12-11(14)9(2)15-16-12/h8,10H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).