(5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C19H12ClN3O2 — CID 46502870

IUPAC(5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2cc(-c3ccccc3)nn2c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H12ClN3O2/c20-14-6-7-17(24)15(8-14)19(25)13-10-21-18-9-16(22-23(18)11-13)12-4-2-1-3-5-12/h1-11,24H
InChIKeyALSJUDNOOFWCDN-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.99
Rot. Bonds3

About (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

(5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 46502870) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID46502870
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name(5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2cc(-c3ccccc3)nn2c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H12ClN3O2/c20-14-6-7-17(24)15(8-14)19(25)13-10-21-18-9-16(22-23(18)11-13)12-4-2-1-3-5-12/h1-11,24H
InChIKeyALSJUDNOOFWCDN-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 (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 46502870) is (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is O=C(c1cnc2cc(-c3ccccc3)nn2c1)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is ALSJUDNOOFWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-14-6-7-17(24)15(8-14)19(25)13-10-21-18-9-16(22-23(18)11-13)12-4-2-1-3-5-12/h1-11,24H.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)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 (5-chloro-2-hydroxyphenyl)-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 46502870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).