(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol

C16H15N3O — CID 22574538

IUPAC(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol
SMILESCn1cc(-c2ccncc2)c(C(O)c2ccccc2)n1
InChIInChI=1S/C16H15N3O/c1-19-11-14(12-7-9-17-10-8-12)15(18-19)16(20)13-5-3-2-4-6-13/h2-11,16,20H,1H3
InChIKeyMTMBIPNHMAENPS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.56
Rot. Bonds3

About (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol

(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol (PubChem CID 22574538) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol
PubChem CID22574538
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol
SMILESCn1cc(-c2ccncc2)c(C(O)c2ccccc2)n1
InChIInChI=1S/C16H15N3O/c1-19-11-14(12-7-9-17-10-8-12)15(18-19)16(20)13-5-3-2-4-6-13/h2-11,16,20H,1H3
InChIKeyMTMBIPNHMAENPS-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol?
The IUPAC name of (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol (CID 22574538) is (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol.
What is the SMILES notation for (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol?
The canonical SMILES for (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol is Cn1cc(-c2ccncc2)c(C(O)c2ccccc2)n1.
What is the InChIKey of (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol?
The InChIKey is MTMBIPNHMAENPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-11-14(12-7-9-17-10-8-12)15(18-19)16(20)13-5-3-2-4-6-13/h2-11,16,20H,1H3.
What are the key properties of (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol?
(1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol has a molecular weight of 265.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-pyridin-4-ylpyrazol-3-yl)-phenylmethanol is sourced from PubChem (CID 22574538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).