[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone

C19H12ClN3O2 — CID 11100185

IUPAC[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1ccccc1O
InChIInChI=1S/C19H12ClN3O2/c20-14-7-5-12(6-8-14)16-9-18-21-10-13(11-23(18)22-16)19(25)15-3-1-2-4-17(15)24/h1-11,24H
InChIKeyBDVJYDQSFMDNFI-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.99
Rot. Bonds3

About [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone

[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone (PubChem CID 11100185) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
PubChem CID11100185
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1ccccc1O
InChIInChI=1S/C19H12ClN3O2/c20-14-7-5-12(6-8-14)16-9-18-21-10-13(11-23(18)22-16)19(25)15-3-1-2-4-17(15)24/h1-11,24H
InChIKeyBDVJYDQSFMDNFI-UHFFFAOYSA-N
XLogP3.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone (CID 11100185) is [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1ccccc1O.
What is the InChIKey of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is BDVJYDQSFMDNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-14-7-5-12(6-8-14)16-9-18-21-10-13(11-23(18)22-16)19(25)15-3-1-2-4-17(15)24/h1-11,24H.
What are the key properties of [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 349.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 11100185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).