7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C19H14ClN3 — CID 900914

IUPAC7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccccc1
InChIInChI=1S/C19H14ClN3/c1-13-18(15-5-3-2-4-6-15)19-21-12-11-17(23(19)22-13)14-7-9-16(20)10-8-14/h2-12H,1H3
InChIKeyILWWESKHEWSVER-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.03
Rot. Bonds2

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

7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 900914) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID900914
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccccc1
InChIInChI=1S/C19H14ClN3/c1-13-18(15-5-3-2-4-6-15)19-21-12-11-17(23(19)22-13)14-7-9-16(20)10-8-14/h2-12H,1H3
InChIKeyILWWESKHEWSVER-UHFFFAOYSA-N
XLogP5.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 900914) is 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccccc1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ILWWESKHEWSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c1-13-18(15-5-3-2-4-6-15)19-21-12-11-17(23(19)22-13)14-7-9-16(20)10-8-14/h2-12H,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 319.80 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 900914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).