N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide

C12H17F2N3O — CID 166874302

IUPACN-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3O/c1-17-10(4-7-16-17)11(18)15-8-9-2-5-12(13,14)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,18)
InChIKeyVKYAIZLLMJQHIY-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.98
Rot. Bonds3

About N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166874302) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID166874302
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3O/c1-17-10(4-7-16-17)11(18)15-8-9-2-5-12(13,14)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,18)
InChIKeyVKYAIZLLMJQHIY-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide (CID 166874302) is N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VKYAIZLLMJQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-17-10(4-7-16-17)11(18)15-8-9-2-5-12(13,14)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,18).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 257.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166874302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).