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

C13H21N3O — CID 43582706

IUPAC3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H21N3O/c1-8-4-6-11(7-5-8)14-13(17)12-9(2)15-16-10(12)3/h8,11H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGXGJLEDPHUKTFJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds2

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

3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582706) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID43582706
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H21N3O/c1-8-4-6-11(7-5-8)14-13(17)12-9(2)15-16-10(12)3/h8,11H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGXGJLEDPHUKTFJ-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide (CID 43582706) is 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GXGJLEDPHUKTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-4-6-11(7-5-8)14-13(17)12-9(2)15-16-10(12)3/h8,11H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).