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

C26H22F3N7O2 — CID 162686105

IUPAC5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)nn2c(-c3cn[nH]c3)cc(N(C)Cc3ccccc3)nc12
InChIInChI=1S/C26H22F3N7O2/c1-16-23(25(37)32-19-9-6-10-20(11-19)38-26(27,28)29)34-36-21(18-13-30-31-14-18)12-22(33-24(16)36)35(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,30,31)(H,32,37)
InChIKeySWPFOARNDVZSHS-UHFFFAOYSA-N
MW521.50 g/mol
LogP5.22
Rot. Bonds7

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

5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686105) has the molecular formula C26H22F3N7O2 and a molecular weight of 521.50 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686105
Molecular FormulaC26H22F3N7O2
Molecular Weight521.50 g/mol
Exact Mass521.18
IUPAC Name5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)nn2c(-c3cn[nH]c3)cc(N(C)Cc3ccccc3)nc12
InChIInChI=1S/C26H22F3N7O2/c1-16-23(25(37)32-19-9-6-10-20(11-19)38-26(27,28)29)34-36-21(18-13-30-31-14-18)12-22(33-24(16)36)35(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,30,31)(H,32,37)
InChIKeySWPFOARNDVZSHS-UHFFFAOYSA-N
XLogP5.22
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.50
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]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

Related Compounds

5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-3-methyl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686151
5-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686023
3-[benzyl(methyl)amino]-N-(3-hydroxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175938214
5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686126
N-benzyl-N-methyl-7-(1H-pyrazol-4-yl)-2-[[3-(trifluoromethyl)anilino]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 166964438
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
3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686149
4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 112812529
3-benzyl-5-methyl-4-oxo-N-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 110499715
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
1-benzyl-1-(4-methoxybutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47490280
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686105) is 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)nn2c(-c3cn[nH]c3)cc(N(C)Cc3ccccc3)nc12.
What is the InChIKey of 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SWPFOARNDVZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O2/c1-16-23(25(37)32-19-9-6-10-20(11-19)38-26(27,28)29)34-36-21(18-13-30-31-14-18)12-22(33-24(16)36)35(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,30,31)(H,32,37).
What are the key properties of 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 521.50 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-3-methyl-7-(1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).