[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol

C15H13ClN4O — CID 24968602

IUPAC[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2cccc(Nc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C15H13ClN4O/c16-11-4-6-12(7-5-11)17-14-2-1-3-15(18-14)20-9-8-13(10-21)19-20/h1-9,21H,10H2,(H,17,18)
InChIKeyKOQPWTJRAFXKEK-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.16
Rot. Bonds4

About [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol

[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol (PubChem CID 24968602) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol
PubChem CID24968602
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2cccc(Nc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C15H13ClN4O/c16-11-4-6-12(7-5-11)17-14-2-1-3-15(18-14)20-9-8-13(10-21)19-20/h1-9,21H,10H2,(H,17,18)
InChIKeyKOQPWTJRAFXKEK-UHFFFAOYSA-N
XLogP3.16
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol (CID 24968602) is [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol is OCc1ccn(-c2cccc(Nc3ccc(Cl)cc3)n2)n1.
What is the InChIKey of [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol?
The InChIKey is KOQPWTJRAFXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-11-4-6-12(7-5-11)17-14-2-1-3-15(18-14)20-9-8-13(10-21)19-20/h1-9,21H,10H2,(H,17,18).
What are the key properties of [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol?
[1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol has a molecular weight of 300.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-chloroanilino)-2-pyridinyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 24968602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).