N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C18H22FN3O2 — CID 46171275

IUPACN-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2C)c(F)c1
InChIInChI=1S/C18H22FN3O2/c1-22-17(14-9-8-13(24-2)10-15(14)19)11-16(21-22)18(23)20-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,20,23)
InChIKeyQXYVBJQIKRJBKL-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.30
Rot. Bonds4

About N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 46171275) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID46171275
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2C)c(F)c1
InChIInChI=1S/C18H22FN3O2/c1-22-17(14-9-8-13(24-2)10-15(14)19)11-16(21-22)18(23)20-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,20,23)
InChIKeyQXYVBJQIKRJBKL-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carboxamide
CID 42879131
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
N-cyclohexyl-1-ethyl-5-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 46171136
N-cyclopentyl-5-cyclopropyl-1-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 110372725
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
(5S,7S)-N-cyclohexyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1127055
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
5-(2-chloro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82304558
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105532

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 46171275) is N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2C)c(F)c1.
What is the InChIKey of N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is QXYVBJQIKRJBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-22-17(14-9-8-13(24-2)10-15(14)19)11-16(21-22)18(23)20-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46171275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).