4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol

C19H14ClN3O — CID 135750240

IUPAC4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESCc1cc(O)c(-c2ccnc3cc(-c4ccccc4)nn23)cc1Cl
InChIInChI=1S/C19H14ClN3O/c1-12-9-18(24)14(10-15(12)20)17-7-8-21-19-11-16(22-23(17)19)13-5-3-2-4-6-13/h2-11,24H,1H3
InChIKeyKUORVPOYTLTQJH-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.73
Rot. Bonds2

About 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol

4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol (PubChem CID 135750240) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
PubChem CID135750240
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESCc1cc(O)c(-c2ccnc3cc(-c4ccccc4)nn23)cc1Cl
InChIInChI=1S/C19H14ClN3O/c1-12-9-18(24)14(10-15(12)20)17-7-8-21-19-11-16(22-23(17)19)13-5-3-2-4-6-13/h2-11,24H,1H3
InChIKeyKUORVPOYTLTQJH-UHFFFAOYSA-N
XLogP4.73
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
The IUPAC name of 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol (CID 135750240) is 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol.
What is the SMILES notation for 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
The canonical SMILES for 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol is Cc1cc(O)c(-c2ccnc3cc(-c4ccccc4)nn23)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
The InChIKey is KUORVPOYTLTQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-9-18(24)14(10-15(12)20)17-7-8-21-19-11-16(22-23(17)19)13-5-3-2-4-6-13/h2-11,24H,1H3.
What are the key properties of 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol has a molecular weight of 335.79 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol is sourced from PubChem (CID 135750240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).