4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide

C13H22N4O — CID 65355546

IUPAC4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2nn(C)cc2N)C1
InChIInChI=1S/C13H22N4O/c1-8-4-9(2)6-10(5-8)15-13(18)12-11(14)7-17(3)16-12/h7-10H,4-6,14H2,1-3H3,(H,15,18)
InChIKeyHOIUCLNIFHYWBT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.56
Rot. Bonds2

About 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355546) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
PubChem CID65355546
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2nn(C)cc2N)C1
InChIInChI=1S/C13H22N4O/c1-8-4-9(2)6-10(5-8)15-13(18)12-11(14)7-17(3)16-12/h7-10H,4-6,14H2,1-3H3,(H,15,18)
InChIKeyHOIUCLNIFHYWBT-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 122445348
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
5-amino-1-methyl-N-(3-methylcyclobutyl)pyrazole-4-carboxamide
CID 104589762
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-(3,5-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64733030

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide (CID 65355546) is 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide is CC1CC(C)CC(NC(=O)c2nn(C)cc2N)C1.
What is the InChIKey of 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HOIUCLNIFHYWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-4-9(2)6-10(5-8)15-13(18)12-11(14)7-17(3)16-12/h7-10H,4-6,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).