7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H18F2N4O2 — CID 995381

IUPAC7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H18F2N4O2/c1-13-8-9-19(30-2)17(10-13)27-22(29)15-12-25-28-18(20(23)24)11-16(26-21(15)28)14-6-4-3-5-7-14/h3-12,20H,1-2H3,(H,27,29)
InChIKeyDKWRCMUUGQBOGX-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.90
Rot. Bonds5

About 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995381) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995381
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H18F2N4O2/c1-13-8-9-19(30-2)17(10-13)27-22(29)15-12-25-28-18(20(23)24)11-16(26-21(15)28)14-6-4-3-5-7-14/h3-12,20H,1-2H3,(H,27,29)
InChIKeyDKWRCMUUGQBOGX-UHFFFAOYSA-N
XLogP4.90
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[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 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995381) is 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DKWRCMUUGQBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-13-8-9-19(30-2)17(10-13)27-22(29)15-12-25-28-18(20(23)24)11-16(26-21(15)28)14-6-4-3-5-7-14/h3-12,20H,1-2H3,(H,27,29).
What are the key properties of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).