N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H24F3N3O2 — CID 110003353

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N(C)CC2CCCCC2O)c1C(F)(F)F
InChIInChI=1S/C16H24F3N3O2/c1-10(2)22-14(16(17,18)19)12(8-20-22)15(24)21(3)9-11-6-4-5-7-13(11)23/h8,10-11,13,23H,4-7,9H2,1-3H3
InChIKeyDXCMSJALWKGRJU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.11
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 110003353) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID110003353
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N(C)CC2CCCCC2O)c1C(F)(F)F
InChIInChI=1S/C16H24F3N3O2/c1-10(2)22-14(16(17,18)19)12(8-20-22)15(24)21(3)9-11-6-4-5-7-13(11)23/h8,10-11,13,23H,4-7,9H2,1-3H3
InChIKeyDXCMSJALWKGRJU-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S*,2S*)-2-{4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}cyclohexanol
CID 72868463
(4aS*,8aS*)-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]octahydroisoquinolin-4a(2H)-ol
CID 50973061
5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 56794907
[4-(Hydroxymethyl)-4-methylpiperidin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 75457106
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 126808258
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 138004890
[1-(4-Methylcyclohexyl)-5-(trifluoromethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 134466124
1-[4-(dihydroxymethyl)-4-methylcyclohexyl]-N-ethyl-N-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134466265
1-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53518511
N-cyclopropyl-5-(difluoromethyl)-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 53571776
[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-[2-(2-propoxyethyl)piperidin-1-yl]methanone
CID 71811358
[2-[2-(Cyclopropylmethoxy)ethyl]piperidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
CID 71811396

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 110003353) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N(C)CC2CCCCC2O)c1C(F)(F)F.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DXCMSJALWKGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-10(2)22-14(16(17,18)19)12(8-20-22)15(24)21(3)9-11-6-4-5-7-13(11)23/h8,10-11,13,23H,4-7,9H2,1-3H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 110003353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).