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

C14H23N3O — CID 64722578

IUPACN-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C14H23N3O/c1-8-5-9(2)7-12(6-8)15-14(18)13-10(3)16-17-11(13)4/h8-9,12H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyRKPXHOYZAUZZRU-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.58
Rot. Bonds2

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

N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 64722578) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID64722578
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C14H23N3O/c1-8-5-9(2)7-12(6-8)15-14(18)13-10(3)16-17-11(13)4/h8-9,12H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyRKPXHOYZAUZZRU-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 64722578) is N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is RKPXHOYZAUZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-8-5-9(2)7-12(6-8)15-14(18)13-10(3)16-17-11(13)4/h8-9,12H,5-7H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64722578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).