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

C24H21N7O2 — CID 175938214

IUPAC3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1c(C(=O)Nc2cccc(O)c2)nn2c(-c3cn[nH]c3)ccnc12
InChIInChI=1S/C24H21N7O2/c1-30(15-16-6-3-2-4-7-16)22-21(24(33)28-18-8-5-9-19(32)12-18)29-31-20(10-11-25-23(22)31)17-13-26-27-14-17/h2-14,32H,15H2,1H3,(H,26,27)(H,28,33)
InChIKeyOVUYQHVPCYAUJY-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.71
Rot. Bonds6

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

3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 175938214) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID175938214
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1c(C(=O)Nc2cccc(O)c2)nn2c(-c3cn[nH]c3)ccnc12
InChIInChI=1S/C24H21N7O2/c1-30(15-16-6-3-2-4-7-16)22-21(24(33)28-18-8-5-9-19(32)12-18)29-31-20(10-11-25-23(22)31)17-13-26-27-14-17/h2-14,32H,15H2,1H3,(H,26,27)(H,28,33)
InChIKeyOVUYQHVPCYAUJY-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

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 175938214) is 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccccc1)c1c(C(=O)Nc2cccc(O)c2)nn2c(-c3cn[nH]c3)ccnc12.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OVUYQHVPCYAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-30(15-16-6-3-2-4-7-16)22-21(24(33)28-18-8-5-9-19(32)12-18)29-31-20(10-11-25-23(22)31)17-13-26-27-14-17/h2-14,32H,15H2,1H3,(H,26,27)(H,28,33).
What are the key properties of 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-[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 3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 175938214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).