N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H16F3N3O — CID 47286103

IUPACN-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)16-7-10-4-5-17-18-10/h4-5,8-9H,1-3,6-7H2,(H,16,19)(H,17,18)
InChIKeyRSPSKKKPQLAPJS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.39
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47286103) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47286103
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)16-7-10-4-5-17-18-10/h4-5,8-9H,1-3,6-7H2,(H,16,19)(H,17,18)
InChIKeyRSPSKKKPQLAPJS-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-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 139539367
2-ethyl-2-fluoro-1-(4-methyl-3,4-dihydro-2H-pyridin-1-yl)-4-[methyl(1H-pyrazol-5-ylmethyl)amino]butan-1-one
CID 163819793
N-(1H-pyrazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730467
N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730749
N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747488
N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47351050
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 48414267
4,4,4-trifluoro-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 65711766
N-[2-[(4,4-difluorocyclohexanecarbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500616
4,4-difluoro-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 81932628

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47286103) is N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1ccn[nH]1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is RSPSKKKPQLAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)16-7-10-4-5-17-18-10/h4-5,8-9H,1-3,6-7H2,(H,16,19)(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-3-(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-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47286103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).