N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C19H22F3N3O — CID 47057300

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)17-8-4-7-16(9-17)18(26)23-10-15-11-24-25(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-17H,4,7-10,12H2,(H,23,26)
InChIKeyUZQAZEZUSFCKJY-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.92
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47057300) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47057300
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)17-8-4-7-16(9-17)18(26)23-10-15-11-24-25(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-17H,4,7-10,12H2,(H,23,26)
InChIKeyUZQAZEZUSFCKJY-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
3-[[[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 99849409
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-benzylcyclobutanecarboxamide
CID 730128
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86990835
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 167882397
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25492042
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47057300) is N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1cnn(Cc2ccccc2)c1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UZQAZEZUSFCKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-19(21,22)17-8-4-7-16(9-17)18(26)23-10-15-11-24-25(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-17H,4,7-10,12H2,(H,23,26).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47057300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).