N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H16F3N3O — CID 104622445

IUPACN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-2-1-3-9(10)11(19)16-5-8-6-17-18-7-8/h6-7,9-10H,1-5H2,(H,16,19)(H,17,18)
InChIKeyWZFQPWBEFWYAOB-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.39
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622445) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622445
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-2-1-3-9(10)11(19)16-5-8-6-17-18-7-8/h6-7,9-10H,1-5H2,(H,16,19)(H,17,18)
InChIKeyWZFQPWBEFWYAOB-UHFFFAOYSA-N
XLogP2.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47369495
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622445) is N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1cn[nH]c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WZFQPWBEFWYAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-4-2-1-3-9(10)11(19)16-5-8-6-17-18-7-8/h6-7,9-10H,1-5H2,(H,16,19)(H,17,18).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).