7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22N4O2 — CID 30849672

IUPAC7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1
InChIInChI=1S/C23H22N4O2/c1-15-4-7-18(12-16(15)2)21-10-11-24-22-20(14-26-27(21)22)23(28)25-13-17-5-8-19(29-3)9-6-17/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyMAVGJOHCUSZSJB-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.95
Rot. Bonds5

About 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 30849672) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID30849672
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1
InChIInChI=1S/C23H22N4O2/c1-15-4-7-18(12-16(15)2)21-10-11-24-22-20(14-26-27(21)22)23(28)25-13-17-5-8-19(29-3)9-6-17/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyMAVGJOHCUSZSJB-UHFFFAOYSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46167866
7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109667
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873234
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
N-cyclopentyl-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109662
7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873313
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109671
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 30849672) is 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1.
What is the InChIKey of 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MAVGJOHCUSZSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-4-7-18(12-16(15)2)21-10-11-24-22-20(14-26-27(21)22)23(28)25-13-17-5-8-19(29-3)9-6-17/h4-12,14H,13H2,1-3H3,(H,25,28).
What are the key properties of 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 30849672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).