5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H21N7O2 — CID 162686023

IUPAC5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2cn[nH]c2)n2nc(C(=O)Nc3cccc(O)c3)cc2n1
InChIInChI=1S/C24H21N7O2/c1-30(15-16-6-3-2-4-7-16)22-12-21(17-13-25-26-14-17)31-23(28-22)11-20(29-31)24(33)27-18-8-5-9-19(32)10-18/h2-14,32H,15H2,1H3,(H,25,26)(H,27,33)
InChIKeyCEDYXWKCWXWWFC-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.71
Rot. Bonds6

About 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686023) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686023
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2cn[nH]c2)n2nc(C(=O)Nc3cccc(O)c3)cc2n1
InChIInChI=1S/C24H21N7O2/c1-30(15-16-6-3-2-4-7-16)22-12-21(17-13-25-26-14-17)31-23(28-22)11-20(29-31)24(33)27-18-8-5-9-19(32)10-18/h2-14,32H,15H2,1H3,(H,25,26)(H,27,33)
InChIKeyCEDYXWKCWXWWFC-UHFFFAOYSA-N
XLogP3.71
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-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 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686023) is 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccccc1)c1cc(-c2cn[nH]c2)n2nc(C(=O)Nc3cccc(O)c3)cc2n1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CEDYXWKCWXWWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-30(15-16-6-3-2-4-7-16)22-12-21(17-13-25-26-14-17)31-23(28-22)11-20(29-31)24(33)27-18-8-5-9-19(32)10-18/h2-14,32H,15H2,1H3,(H,25,26)(H,27,33).
What are the key properties of 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).