N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide

C21H20F3N3O2 — CID 42687103

IUPACN-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
SMILESCCCc1[nH]nc(-c2ccccc2OC)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-3-6-16-19(18(27-26-16)15-7-4-5-8-17(15)29-2)25-20(28)13-9-11-14(12-10-13)21(22,23)24/h4-5,7-12H,3,6H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRWURAOAYWCMDSP-UHFFFAOYSA-N
MW403.40 g/mol
LogP5.31
Rot. Bonds6

About N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide

N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 42687103) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID42687103
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
SMILESCCCc1[nH]nc(-c2ccccc2OC)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-3-6-16-19(18(27-26-16)15-7-4-5-8-17(15)29-2)25-20(28)13-9-11-14(12-10-13)21(22,23)24/h4-5,7-12H,3,6H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRWURAOAYWCMDSP-UHFFFAOYSA-N
XLogP5.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
CID 42686462
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186
4-chloro-N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42685781
N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42686670
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005194
N-[3-(2,5-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42685811
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide (CID 42687103) is N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide is CCCc1[nH]nc(-c2ccccc2OC)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is RWURAOAYWCMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-3-6-16-19(18(27-26-16)15-7-4-5-8-17(15)29-2)25-20(28)13-9-11-14(12-10-13)21(22,23)24/h4-5,7-12H,3,6H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 403.40 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42687103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).