N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C17H19F3N4O — CID 71881009

IUPACN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)13-5-3-4-12(10-13)16(25)22-15-7-9-24(23-15)11-14-6-1-2-8-21-14/h1-2,6-9,12-13H,3-5,10-11H2,(H,22,23,25)
InChIKeyGSBPHTVINRSSQR-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71881009) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71881009
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)13-5-3-4-12(10-13)16(25)22-15-7-9-24(23-15)11-14-6-1-2-8-21-14/h1-2,6-9,12-13H,3-5,10-11H2,(H,22,23,25)
InChIKeyGSBPHTVINRSSQR-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 71934842
(3S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94811681
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286071
N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]cyclopentanecarboxamide
CID 49011537
N-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115281171
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60516432
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71881009) is N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccn(Cc2ccccn2)n1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is GSBPHTVINRSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)13-5-3-4-12(10-13)16(25)22-15-7-9-24(23-15)11-14-6-1-2-8-21-14/h1-2,6-9,12-13H,3-5,10-11H2,(H,22,23,25).
What are the key properties of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71881009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).