3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide

C21H23F2N3O2 — CID 59347720

IUPAC3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C21H23F2N3O2/c1-25(2)20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(24-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,6,11-12,14H2,1-2H3
InChIKeyMLUPUIJVBVLWGQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.72
Rot. Bonds5

About 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide

3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 59347720) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID59347720
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C21H23F2N3O2/c1-25(2)20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(24-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,6,11-12,14H2,1-2H3
InChIKeyMLUPUIJVBVLWGQ-UHFFFAOYSA-N
XLogP3.72
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-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 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide (CID 59347720) is 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide is CN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is MLUPUIJVBVLWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-25(2)20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(24-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,6,11-12,14H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 59347720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).