N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide

C20H17F3N4O3 — CID 1261133

IUPACN-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccccc1-n1nc(C)cc1NC(=O)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O3/c1-12-11-17(27(26-12)15-5-3-4-6-16(15)30-2)24-19(29)25-18(28)13-7-9-14(10-8-13)20(21,22)23/h3-11H,1-2H3,(H2,24,25,28,29)
InChIKeyQHZHVRZYMLSFSV-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.17
Rot. Bonds4

About N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide

N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide (PubChem CID 1261133) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide
PubChem CID1261133
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC NameN-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccccc1-n1nc(C)cc1NC(=O)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O3/c1-12-11-17(27(26-12)15-5-3-4-6-16(15)30-2)24-19(29)25-18(28)13-7-9-14(10-8-13)20(21,22)23/h3-11H,1-2H3,(H2,24,25,28,29)
InChIKeyQHZHVRZYMLSFSV-UHFFFAOYSA-N
XLogP4.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide (CID 1261133) is N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide is COc1ccccc1-n1nc(C)cc1NC(=O)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QHZHVRZYMLSFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-12-11-17(27(26-12)15-5-3-4-6-16(15)30-2)24-19(29)25-18(28)13-7-9-14(10-8-13)20(21,22)23/h3-11H,1-2H3,(H2,24,25,28,29).
What are the key properties of N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide?
N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 418.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-5-methylpyrazol-3-yl]carbamoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 1261133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).