5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

C14H10ClF2N3 — CID 4773292

IUPAC5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2n1
InChIInChI=1S/C14H10ClF2N3/c1-8-6-13-18-11(9-2-4-10(15)5-3-9)7-12(14(16)17)20(13)19-8/h2-7,14H,1H3
InChIKeyDRVHOKIYJHQDPO-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.30
Rot. Bonds2

About 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4773292) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4773292
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2n1
InChIInChI=1S/C14H10ClF2N3/c1-8-6-13-18-11(9-2-4-10(15)5-3-9)7-12(14(16)17)20(13)19-8/h2-7,14H,1H3
InChIKeyDRVHOKIYJHQDPO-UHFFFAOYSA-N
XLogP4.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 122364244
7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine
CID 4777118
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
6-chloro-2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 784545
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4767452
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
2-methyl-5-phenyl-7-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazolo[1,5-a]pyrimidine
CID 17132278
7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141127549
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4773292) is 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DRVHOKIYJHQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-8-6-13-18-11(9-2-4-10(15)5-3-9)7-12(14(16)17)20(13)19-8/h2-7,14H,1H3.
What are the key properties of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 293.70 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4773292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).