N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide

C23H28FN3O — CID 25230447

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(C)CN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C23H28FN3O/c1-16(2)15-27-21(17-8-6-5-7-9-17)14-20(26-27)22(28)25-23(3,4)18-10-12-19(24)13-11-18/h5-13,16,21H,14-15H2,1-4H3,(H,25,28)
InChIKeyNCNRHZISJCSJQE-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide

N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230447) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230447
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(C)CN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C23H28FN3O/c1-16(2)15-27-21(17-8-6-5-7-9-17)14-20(26-27)22(28)25-23(3,4)18-10-12-19(24)13-11-18/h5-13,16,21H,14-15H2,1-4H3,(H,25,28)
InChIKeyNCNRHZISJCSJQE-UHFFFAOYSA-N
XLogP4.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide 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 N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 25230447) is N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(C)CN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is NCNRHZISJCSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-16(2)15-27-21(17-8-6-5-7-9-17)14-20(26-27)22(28)25-23(3,4)18-10-12-19(24)13-11-18/h5-13,16,21H,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).