3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide

C17H19F2N3O2 — CID 111137730

IUPAC3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(O)CC2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C17H19F2N3O2/c1-22-9-14(17(24)20-11-3-5-12(23)6-4-11)16(21-22)13-7-2-10(18)8-15(13)19/h2,7-9,11-12,23H,3-6H2,1H3,(H,20,24)
InChIKeyXCJZNWJWMYLKDB-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.40
Rot. Bonds3

About 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide

3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 111137730) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID111137730
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(O)CC2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C17H19F2N3O2/c1-22-9-14(17(24)20-11-3-5-12(23)6-4-11)16(21-22)13-7-2-10(18)8-15(13)19/h2,7-9,11-12,23H,3-6H2,1H3,(H,20,24)
InChIKeyXCJZNWJWMYLKDB-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 86948304
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
3-(2,4-difluorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86949170
N'-(4-bromobenzoyl)-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 86947969
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
CID 86948177
3-(2,4-difluorophenyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 86948044
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 86949275
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124694982
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
3-(2,4-difluorophenyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86949267
methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide (CID 111137730) is 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(O)CC2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is XCJZNWJWMYLKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-22-9-14(17(24)20-11-3-5-12(23)6-4-11)16(21-22)13-7-2-10(18)8-15(13)19/h2,7-9,11-12,23H,3-6H2,1H3,(H,20,24).
What are the key properties of 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111137730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).