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

C25H20N8O — CID 162686126

IUPAC5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2cn[nH]c2)n2nc(C(=O)Nc3ccc(C#N)cc3)cc2n1
InChIInChI=1S/C25H20N8O/c1-32(16-18-5-3-2-4-6-18)23-12-22(19-14-27-28-15-19)33-24(30-23)11-21(31-33)25(34)29-20-9-7-17(13-26)8-10-20/h2-12,14-15H,16H2,1H3,(H,27,28)(H,29,34)
InChIKeyKFBLBLKUSFDEFY-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.88
Rot. Bonds6

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

5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686126) has the molecular formula C25H20N8O and a molecular weight of 448.49 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686126
Molecular FormulaC25H20N8O
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1cc(-c2cn[nH]c2)n2nc(C(=O)Nc3ccc(C#N)cc3)cc2n1
InChIInChI=1S/C25H20N8O/c1-32(16-18-5-3-2-4-6-18)23-12-22(19-14-27-28-15-19)33-24(30-23)11-21(31-33)25(34)29-20-9-7-17(13-26)8-10-20/h2-12,14-15H,16H2,1H3,(H,27,28)(H,29,34)
InChIKeyKFBLBLKUSFDEFY-UHFFFAOYSA-N
XLogP3.88
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686023
5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686151
5-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686185
N-benzyl-N-methyl-7-(1H-pyrazol-4-yl)-2-[[3-(trifluoromethyl)anilino]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 166964438
5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686105
N-(4-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000587
3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175938214
2-[(4-chloroanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 166964289
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109258516
5-(1,3-dihydroisoindol-2-yl)-N-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686089
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686126) is 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccccc1)c1cc(-c2cn[nH]c2)n2nc(C(=O)Nc3ccc(C#N)cc3)cc2n1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KFBLBLKUSFDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O/c1-32(16-18-5-3-2-4-6-18)23-12-22(19-14-27-28-15-19)33-24(30-23)11-21(31-33)25(34)29-20-9-7-17(13-26)8-10-20/h2-12,14-15H,16H2,1H3,(H,27,28)(H,29,34).
What are the key properties of 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).