3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide

C12H17F2N3O — CID 114226475

IUPAC3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(F)(F)C1)c1cn[nH]c1
InChIInChI=1S/C12H17F2N3O/c1-8(10-6-15-16-7-10)17-11(18)9-3-2-4-12(13,14)5-9/h6-9H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyFWRAUTXVUQZWJW-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.41
Rot. Bonds3

About 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide

3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 114226475) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID114226475
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(F)(F)C1)c1cn[nH]c1
InChIInChI=1S/C12H17F2N3O/c1-8(10-6-15-16-7-10)17-11(18)9-3-2-4-12(13,14)5-9/h6-9H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyFWRAUTXVUQZWJW-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 48414267
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 60785978
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 60788329
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 61258478
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 75416589
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962898
4,4-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexane-1-carboxamide
CID 81932762
N-methyl-N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932780
4,4-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932796

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide (CID 114226475) is 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCCC(F)(F)C1)c1cn[nH]c1.
What is the InChIKey of 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is FWRAUTXVUQZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-8(10-6-15-16-7-10)17-11(18)9-3-2-4-12(13,14)5-9/h6-9H,2-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 257.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114226475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).