(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide

C21H19F5N4O — CID 90466726

IUPAC(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C[C@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C21H19F5N4O/c1-30-20(28-17(31)11-16(27)10-12-2-6-14(22)7-3-12)18(19(29-30)21(24,25)26)13-4-8-15(23)9-5-13/h2-9,16H,10-11,27H2,1H3,(H,28,31)/t16-/m1/s1
InChIKeyPFQWYPIUYQEFMH-MRXNPFEDSA-N
MW438.40 g/mol
LogP4.28
Rot. Bonds6

About (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide

(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide (PubChem CID 90466726) has the molecular formula C21H19F5N4O and a molecular weight of 438.40 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide
PubChem CID90466726
Molecular FormulaC21H19F5N4O
Molecular Weight438.40 g/mol
Exact Mass438.15
IUPAC Name(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C[C@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C21H19F5N4O/c1-30-20(28-17(31)11-16(27)10-12-2-6-14(22)7-3-12)18(19(29-30)21(24,25)26)13-4-8-15(23)9-5-13/h2-9,16H,10-11,27H2,1H3,(H,28,31)/t16-/m1/s1
InChIKeyPFQWYPIUYQEFMH-MRXNPFEDSA-N
XLogP4.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide?
The IUPAC name of (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide (CID 90466726) is (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide is Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C[C@H](N)Cc1ccc(F)cc1.
What is the InChIKey of (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide?
The InChIKey is PFQWYPIUYQEFMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19F5N4O/c1-30-20(28-17(31)11-16(27)10-12-2-6-14(22)7-3-12)18(19(29-30)21(24,25)26)13-4-8-15(23)9-5-13/h2-9,16H,10-11,27H2,1H3,(H,28,31)/t16-/m1/s1.
What are the key properties of (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide?
(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide has a molecular weight of 438.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide is sourced from PubChem (CID 90466726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).