6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23ClN4O2 — CID 5221010

IUPAC6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12
InChIInChI=1S/C24H23ClN4O2/c1-15-20(12-17-7-6-9-19(25)11-17)16(2)29-23(28-15)21(14-27-29)24(30)26-13-18-8-4-5-10-22(18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyFKWCBKSPPSVBKF-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.53
Rot. Bonds6

About 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5221010) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5221010
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12
InChIInChI=1S/C24H23ClN4O2/c1-15-20(12-17-7-6-9-19(25)11-17)16(2)29-23(28-15)21(14-27-29)24(30)26-13-18-8-4-5-10-22(18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyFKWCBKSPPSVBKF-UHFFFAOYSA-N
XLogP4.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-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 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5221010) is 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3cccc(Cl)c3)c(C)nc12.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FKWCBKSPPSVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-15-20(12-17-7-6-9-19(25)11-17)16(2)29-23(28-15)21(14-27-29)24(30)26-13-18-8-4-5-10-22(18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30).
What are the key properties of 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5221010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).