[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol

C12H14N2O2 — CID 139504537

IUPAC[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol
SMILESCc1cnn(C)c1-c1ccccc1C(O)O
InChIInChI=1S/C12H14N2O2/c1-8-7-13-14(2)11(8)9-5-3-4-6-10(9)12(15)16/h3-7,12,15-16H,1-2H3
InChIKeyHYECSGNVAGAANR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.38
Rot. Bonds2

About [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol

[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol (PubChem CID 139504537) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol.

Molecular Properties

Compound Name[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol
PubChem CID139504537
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol
SMILESCc1cnn(C)c1-c1ccccc1C(O)O
InChIInChI=1S/C12H14N2O2/c1-8-7-13-14(2)11(8)9-5-3-4-6-10(9)12(15)16/h3-7,12,15-16H,1-2H3
InChIKeyHYECSGNVAGAANR-UHFFFAOYSA-N
XLogP1.38
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.38
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

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
(2-Methyl-2H-indazol-4-yl)methanol
CID 44119267
(1-Benzyl-5-methyl-1h-pyrazol-4-yl)methanol
CID 66437900
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-1-yl]propanenitrile
CID 2068133
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632
(1-Methyl-3-phenyl-1H-pyrazol-4-YL)methanol
CID 40427074
3-[4-(Hydroxymethyl)-3-phenylpyrazolyl]propanenitrile
CID 2876459
[1-[(1,3-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 53193347
(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol?
The IUPAC name of [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol (CID 139504537) is [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol.
What is the SMILES notation for [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol?
The canonical SMILES for [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol is Cc1cnn(C)c1-c1ccccc1C(O)O.
What is the InChIKey of [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol?
The InChIKey is HYECSGNVAGAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-7-13-14(2)11(8)9-5-3-4-6-10(9)12(15)16/h3-7,12,15-16H,1-2H3.
What are the key properties of [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol?
[2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol has a molecular weight of 218.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylpyrazol-5-yl)phenyl]methanediol is sourced from PubChem (CID 139504537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).