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

C13H22N4O — CID 65356129

IUPAC4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
SMILESCC1CCC(N(C)C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C13H22N4O/c1-9-4-6-10(7-5-9)16(2)13(18)12-11(14)8-15-17(12)3/h8-10H,4-7,14H2,1-3H3
InChIKeyOTDFGBVFPXCAKL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.65
Rot. Bonds2

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

4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide (PubChem CID 65356129) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
PubChem CID65356129
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
SMILESCC1CCC(N(C)C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C13H22N4O/c1-9-4-6-10(7-5-9)16(2)13(18)12-11(14)8-15-17(12)3/h8-10H,4-7,14H2,1-3H3
InChIKeyOTDFGBVFPXCAKL-UHFFFAOYSA-N
XLogP1.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide (CID 65356129) is 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide is CC1CCC(N(C)C(=O)c2c(N)cnn2C)CC1.
What is the InChIKey of 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide?
The InChIKey is OTDFGBVFPXCAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-4-6-10(7-5-9)16(2)13(18)12-11(14)8-15-17(12)3/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide?
4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65356129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).