(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol

C13H12N4O — CID 114994793

IUPAC(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccn[nH]1
InChIInChI=1S/C13H12N4O/c18-13(12-6-7-14-16-12)10-8-15-17(9-10)11-4-2-1-3-5-11/h1-9,13,18H,(H,14,16)
InChIKeyGVTGOMCSOIMCIC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.68
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol

(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol (PubChem CID 114994793) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
PubChem CID114994793
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccn[nH]1
InChIInChI=1S/C13H12N4O/c18-13(12-6-7-14-16-12)10-8-15-17(9-10)11-4-2-1-3-5-11/h1-9,13,18H,(H,14,16)
InChIKeyGVTGOMCSOIMCIC-UHFFFAOYSA-N
XLogP1.68
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
(5-ethylfuran-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79096206

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol?
The IUPAC name of (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol (CID 114994793) is (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol?
The canonical SMILES for (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1ccn[nH]1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol?
The InChIKey is GVTGOMCSOIMCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(12-6-7-14-16-12)10-8-15-17(9-10)11-4-2-1-3-5-11/h1-9,13,18H,(H,14,16).
What are the key properties of (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol?
(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol has a molecular weight of 240.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 114994793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).