2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide

C24H20ClF4N5O2 — CID 90215380

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C24H20ClF4N5O2/c1-14-20(25)22(24(27,28)29)32-33(14)19(11-12-35)23(36)31-18-13-30-34(17-9-7-16(26)8-10-17)21(18)15-5-3-2-4-6-15/h2-10,13,19,35H,11-12H2,1H3,(H,31,36)
InChIKeyRTECHVFVRLNEIZ-UHFFFAOYSA-N
MW521.90 g/mol
LogP5.42
Rot. Bonds7

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide (PubChem CID 90215380) has the molecular formula C24H20ClF4N5O2 and a molecular weight of 521.90 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide
PubChem CID90215380
Molecular FormulaC24H20ClF4N5O2
Molecular Weight521.90 g/mol
Exact Mass521.12
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C24H20ClF4N5O2/c1-14-20(25)22(24(27,28)29)32-33(14)19(11-12-35)23(36)31-18-13-30-34(17-9-7-16(26)8-10-17)21(18)15-5-3-2-4-6-15/h2-10,13,19,35H,11-12H2,1H3,(H,31,36)
InChIKeyRTECHVFVRLNEIZ-UHFFFAOYSA-N
XLogP5.42
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.90
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylimidazol-4-yl]-7-hydroxyheptan-2-one
CID 159734730
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-(4-fluorophenyl)-5-phenylpyrazol-4-amine
CID 159411348
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methylbutan-1-one
CID 73335540
2-[[(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4,4,4-trifluorobutanoyl]amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 178109781
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(3-fluorophenyl)-5-iodopyrazol-4-yl]hexan-2-one
CID 158355967
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)propanamide
CID 19531941
N-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 76902961
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]-2-methylpropanamide
CID 121464282
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-phenylacetic acid
CID 58778052
N-[1-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide
CID 123730249
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
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CID 19532035

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide (CID 90215380) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1-c1ccccc1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide?
The InChIKey is RTECHVFVRLNEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF4N5O2/c1-14-20(25)22(24(27,28)29)32-33(14)19(11-12-35)23(36)31-18-13-30-34(17-9-7-16(26)8-10-17)21(18)15-5-3-2-4-6-15/h2-10,13,19,35H,11-12H2,1H3,(H,31,36).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide has a molecular weight of 521.90 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-4-hydroxybutanamide is sourced from PubChem (CID 90215380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).