(5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone

C14H9ClN4O2 — CID 47058395

IUPAC(5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ncccn2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9ClN4O2/c15-10-2-3-12(20)11(6-10)13(21)9-7-18-19(8-9)14-16-4-1-5-17-14/h1-8,20H
InChIKeyDTEKHWPTGPAVNR-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.25
Rot. Bonds3

About (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone

(5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone (PubChem CID 47058395) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone
PubChem CID47058395
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name(5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ncccn2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9ClN4O2/c15-10-2-3-12(20)11(6-10)13(21)9-7-18-19(8-9)14-16-4-1-5-17-14/h1-8,20H
InChIKeyDTEKHWPTGPAVNR-UHFFFAOYSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone (CID 47058395) is (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ncccn2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone?
The InChIKey is DTEKHWPTGPAVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-10-2-3-12(20)11(6-10)13(21)9-7-18-19(8-9)14-16-4-1-5-17-14/h1-8,20H.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone has a molecular weight of 300.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(1-pyrimidin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 47058395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).