N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

C24H27N3O2 — CID 24687166

IUPACN-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H27N3O2/c1-17(2)18-10-12-19(13-11-18)23-22(24(28)25-15-21-9-6-14-29-21)16-27(26-23)20-7-4-3-5-8-20/h3-5,7-8,10-13,16-17,21H,6,9,14-15H2,1-2H3,(H,25,28)
InChIKeyHRHCLCMKDJSCCC-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.57
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (PubChem CID 24687166) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
PubChem CID24687166
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H27N3O2/c1-17(2)18-10-12-19(13-11-18)23-22(24(28)25-15-21-9-6-14-29-21)16-27(26-23)20-7-4-3-5-8-20/h3-5,7-8,10-13,16-17,21H,6,9,14-15H2,1-2H3,(H,25,28)
InChIKeyHRHCLCMKDJSCCC-UHFFFAOYSA-N
XLogP4.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (CID 24687166) is N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is HRHCLCMKDJSCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(2)18-10-12-19(13-11-18)23-22(24(28)25-15-21-9-6-14-29-21)16-27(26-23)20-7-4-3-5-8-20/h3-5,7-8,10-13,16-17,21H,6,9,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24687166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).