3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

C12H17F2N3O — CID 114226467

IUPAC3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C12H17F2N3O/c1-17(8-9-6-15-16-7-9)11(18)10-3-2-4-12(13,14)5-10/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyYAZKWGKOINAAJC-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.19
Rot. Bonds3

About 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 114226467) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID114226467
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C12H17F2N3O/c1-17(8-9-6-15-16-7-9)11(18)10-3-2-4-12(13,14)5-10/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyYAZKWGKOINAAJC-UHFFFAOYSA-N
XLogP2.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 48414267
4,4,4-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 65711975
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962898
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
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932833
4,4-difluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932854
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932871
4,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 81932889
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932941

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (CID 114226467) is 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1cn[nH]c1)C(=O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is YAZKWGKOINAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-17(8-9-6-15-16-7-9)11(18)10-3-2-4-12(13,14)5-10/h6-7,10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 257.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114226467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).