7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C19H13ClFN3 — CID 56922577

IUPAC7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3/c1-12-18(14-4-8-16(21)9-5-14)19-22-11-10-17(24(19)23-12)13-2-6-15(20)7-3-13/h2-11H,1H3
InChIKeyUDNXDKGGWLGSTN-UHFFFAOYSA-N
MW337.79 g/mol
LogP5.16
Rot. Bonds2

About 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 56922577) has the molecular formula C19H13ClFN3 and a molecular weight of 337.79 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID56922577
Molecular FormulaC19H13ClFN3
Molecular Weight337.79 g/mol
Exact Mass337.08
IUPAC Name7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3/c1-12-18(14-4-8-16(21)9-5-14)19-22-11-10-17(24(19)23-12)13-2-6-15(20)7-3-13/h2-11H,1H3
InChIKeyUDNXDKGGWLGSTN-UHFFFAOYSA-N
XLogP5.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623
7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 141214990
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 56738010
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56738017
5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274361
2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 141325485
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 8707777
6-(4-fluorophenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 4774984
7-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56920453
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 56922577) is 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccc(F)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UDNXDKGGWLGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3/c1-12-18(14-4-8-16(21)9-5-14)19-22-11-10-17(24(19)23-12)13-2-6-15(20)7-3-13/h2-11H,1H3.
What are the key properties of 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 337.79 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56922577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).