3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C21H21N5OS — CID 20862969

IUPAC3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)n1
InChIInChI=1S/C21H21N5OS/c1-13-12-28-21(22-13)24-20(27)10-9-17-14(2)23-19-11-18(25-26(19)15(17)3)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,24,27)
InChIKeyZHERMOGCISITEV-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.35
Rot. Bonds5

About 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 20862969) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID20862969
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)n1
InChIInChI=1S/C21H21N5OS/c1-13-12-28-21(22-13)24-20(27)10-9-17-14(2)23-19-11-18(25-26(19)15(17)3)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,24,27)
InChIKeyZHERMOGCISITEV-UHFFFAOYSA-N
XLogP4.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 20862969) is 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)n1.
What is the InChIKey of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZHERMOGCISITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-13-12-28-21(22-13)24-20(27)10-9-17-14(2)23-19-11-18(25-26(19)15(17)3)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,22,24,27).
What are the key properties of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 391.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 20862969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).