[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol

C15H14N4O — CID 172812427

IUPAC[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol
SMILESCn1ccc(-c2cccc(-c3nccc(CO)n3)c2)n1
InChIInChI=1S/C15H14N4O/c1-19-8-6-14(18-19)11-3-2-4-12(9-11)15-16-7-5-13(10-20)17-15/h2-9,20H,10H2,1H3
InChIKeySJBJLUZYWHDSCF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.04
Rot. Bonds3

About [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol

[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol (PubChem CID 172812427) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol
PubChem CID172812427
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol
SMILESCn1ccc(-c2cccc(-c3nccc(CO)n3)c2)n1
InChIInChI=1S/C15H14N4O/c1-19-8-6-14(18-19)11-3-2-4-12(9-11)15-16-7-5-13(10-20)17-15/h2-9,20H,10H2,1H3
InChIKeySJBJLUZYWHDSCF-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol (CID 172812427) is [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol is Cn1ccc(-c2cccc(-c3nccc(CO)n3)c2)n1.
What is the InChIKey of [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol?
The InChIKey is SJBJLUZYWHDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-8-6-14(18-19)11-3-2-4-12(9-11)15-16-7-5-13(10-20)17-15/h2-9,20H,10H2,1H3.
What are the key properties of [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol?
[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol has a molecular weight of 266.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 172812427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).