7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H22N4OS — CID 74240511

IUPAC7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(Cc1ccc(SC)cc1)C(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C19H22N4OS/c1-4-11-22(13-15-5-7-16(25-3)8-6-15)19(24)17-12-20-18-9-10-21-23(18)14(17)2/h5-10,12H,4,11,13H2,1-3H3
InChIKeyCJHWTVKFXXVVKS-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.81
Rot. Bonds6

About 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 74240511) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID74240511
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(Cc1ccc(SC)cc1)C(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C19H22N4OS/c1-4-11-22(13-15-5-7-16(25-3)8-6-15)19(24)17-12-20-18-9-10-21-23(18)14(17)2/h5-10,12H,4,11,13H2,1-3H3
InChIKeyCJHWTVKFXXVVKS-UHFFFAOYSA-N
XLogP3.81
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-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 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 74240511) is 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCN(Cc1ccc(SC)cc1)C(=O)c1cnc2ccnn2c1C.
What is the InChIKey of 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CJHWTVKFXXVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-4-11-22(13-15-5-7-16(25-3)8-6-15)19(24)17-12-20-18-9-10-21-23(18)14(17)2/h5-10,12H,4,11,13H2,1-3H3.
What are the key properties of 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 74240511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).