[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol

C12H15N3O — CID 62491929

IUPAC[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol
SMILESCC(C)c1ccn(-c2cc(CO)ccn2)n1
InChIInChI=1S/C12H15N3O/c1-9(2)11-4-6-15(14-11)12-7-10(8-16)3-5-13-12/h3-7,9,16H,8H2,1-2H3
InChIKeyJXFBHDNTHXVOCB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.88
Rot. Bonds3

About [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol

[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol (PubChem CID 62491929) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol
PubChem CID62491929
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol
SMILESCC(C)c1ccn(-c2cc(CO)ccn2)n1
InChIInChI=1S/C12H15N3O/c1-9(2)11-4-6-15(14-11)12-7-10(8-16)3-5-13-12/h3-7,9,16H,8H2,1-2H3
InChIKeyJXFBHDNTHXVOCB-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol (CID 62491929) is [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol is CC(C)c1ccn(-c2cc(CO)ccn2)n1.
What is the InChIKey of [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol?
The InChIKey is JXFBHDNTHXVOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(2)11-4-6-15(14-11)12-7-10(8-16)3-5-13-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol?
[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 62491929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).