1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one

C25H31N3O3 — CID 11796456

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one
SMILESCc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)CNC(C)C
InChIInChI=1S/C25H31N3O3/c1-18(2)26-16-22(29)17-27-19(3)24(23(30)15-14-20-10-6-4-7-11-20)25(31)28(27)21-12-8-5-9-13-21/h4-13,18,22,26,29H,14-17H2,1-3H3
InChIKeyDNSZEGKDVYSKEE-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.12
Rot. Bonds10

About 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one

1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one (PubChem CID 11796456) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one
PubChem CID11796456
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one
SMILESCc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)CNC(C)C
InChIInChI=1S/C25H31N3O3/c1-18(2)26-16-22(29)17-27-19(3)24(23(30)15-14-20-10-6-4-7-11-20)25(31)28(27)21-12-8-5-9-13-21/h4-13,18,22,26,29H,14-17H2,1-3H3
InChIKeyDNSZEGKDVYSKEE-UHFFFAOYSA-N
XLogP3.12
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one 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 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one (CID 11796456) is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one is Cc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)CNC(C)C.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one?
The InChIKey is DNSZEGKDVYSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)26-16-22(29)17-27-19(3)24(23(30)15-14-20-10-6-4-7-11-20)25(31)28(27)21-12-8-5-9-13-21/h4-13,18,22,26,29H,14-17H2,1-3H3.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one?
1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one has a molecular weight of 421.54 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one is sourced from PubChem (CID 11796456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).