[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol

C15H11BrClN3O — CID 65349369

IUPAC[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C15H11BrClN3O/c16-11-6-7-13(18-8-11)20-15(17)12(9-21)14(19-20)10-4-2-1-3-5-10/h1-8,21H,9H2
InChIKeyQYRCMWQJWVKDRF-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.84
Rot. Bonds3

About [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol

[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol (PubChem CID 65349369) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol
PubChem CID65349369
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C15H11BrClN3O/c16-11-6-7-13(18-8-11)20-15(17)12(9-21)14(19-20)10-4-2-1-3-5-10/h1-8,21H,9H2
InChIKeyQYRCMWQJWVKDRF-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol (CID 65349369) is [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol is OCc1c(-c2ccccc2)nn(-c2ccc(Br)cn2)c1Cl.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol?
The InChIKey is QYRCMWQJWVKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c16-11-6-7-13(18-8-11)20-15(17)12(9-21)14(19-20)10-4-2-1-3-5-10/h1-8,21H,9H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol?
[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol has a molecular weight of 364.63 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 65349369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).