(1-phenylpyrazol-4-yl)methanediol

C10H10N2O2 — CID 70397428

IUPAC(1-phenylpyrazol-4-yl)methanediol
SMILESOC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,10,13-14H
InChIKeyBNCSHEBEYRNFHB-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.86
Rot. Bonds2

About (1-phenylpyrazol-4-yl)methanediol

(1-phenylpyrazol-4-yl)methanediol (PubChem CID 70397428) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)methanediol.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)methanediol
PubChem CID70397428
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(1-phenylpyrazol-4-yl)methanediol
SMILESOC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,10,13-14H
InChIKeyBNCSHEBEYRNFHB-UHFFFAOYSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 79367084
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
CID 174462820
(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
CID 114994793
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)methanediol?
The IUPAC name of (1-phenylpyrazol-4-yl)methanediol (CID 70397428) is (1-phenylpyrazol-4-yl)methanediol.
What is the SMILES notation for (1-phenylpyrazol-4-yl)methanediol?
The canonical SMILES for (1-phenylpyrazol-4-yl)methanediol is OC(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrazol-4-yl)methanediol?
The InChIKey is BNCSHEBEYRNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,10,13-14H.
What are the key properties of (1-phenylpyrazol-4-yl)methanediol?
(1-phenylpyrazol-4-yl)methanediol has a molecular weight of 190.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)methanediol is sourced from PubChem (CID 70397428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).