3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H26N4O3 — CID 46338319

IUPAC3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(-c4ccccc4)c(C(=O)NC)cnc23)cc1OCC
InChIInChI=1S/C25H26N4O3/c1-5-31-20-13-12-18(14-21(20)32-6-2)22-16(3)28-29-23(17-10-8-7-9-11-17)19(25(30)26-4)15-27-24(22)29/h7-15H,5-6H2,1-4H3,(H,26,30)
InChIKeyVDZOKWYOSJDLHE-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.53
Rot. Bonds7

About 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 46338319) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID46338319
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2c(C)nn3c(-c4ccccc4)c(C(=O)NC)cnc23)cc1OCC
InChIInChI=1S/C25H26N4O3/c1-5-31-20-13-12-18(14-21(20)32-6-2)22-16(3)28-29-23(17-10-8-7-9-11-17)19(25(30)26-4)15-27-24(22)29/h7-15H,5-6H2,1-4H3,(H,26,30)
InChIKeyVDZOKWYOSJDLHE-UHFFFAOYSA-N
XLogP4.53
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[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 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 46338319) is 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(-c2c(C)nn3c(-c4ccccc4)c(C(=O)NC)cnc23)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VDZOKWYOSJDLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-5-31-20-13-12-18(14-21(20)32-6-2)22-16(3)28-29-23(17-10-8-7-9-11-17)19(25(30)26-4)15-27-24(22)29/h7-15H,5-6H2,1-4H3,(H,26,30).
What are the key properties of 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N,2-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46338319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).