ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol

C13H18N2O — CID 143966234

IUPACethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
SMILESCC.Cc1ccc(-n2cccn2)cc1CO
InChIInChI=1S/C11H12N2O.C2H6/c1-9-3-4-11(7-10(9)8-14)13-6-2-5-12-13;1-2/h2-7,14H,8H2,1H3;1-2H3
InChIKeyPCZNAQGWFXZMSH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds2

About ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol

ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol (PubChem CID 143966234) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol.

Molecular Properties

Compound Nameethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
PubChem CID143966234
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
SMILESCC.Cc1ccc(-n2cccn2)cc1CO
InChIInChI=1S/C11H12N2O.C2H6/c1-9-3-4-11(7-10(9)8-14)13-6-2-5-12-13;1-2/h2-7,14H,8H2,1H3;1-2H3
InChIKeyPCZNAQGWFXZMSH-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496
ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 143966240
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
(2-methyl-5-piperazin-1-ylphenyl)methanol
CID 84779190
1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363
N-methyl-2-[2-(2-methyl-4-pyrazol-1-ylphenyl)ethyl]aniline
CID 155063541
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
(4-chloro-2-pyrazol-1-ylphenyl)methanol
CID 114845909
(1Z,3Z)-1-(2-methyl-4-pyrazol-1-ylphenyl)hexa-1,3-diene-1,4-diamine
CID 166776619
N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline
CID 119045900
(3-pyrazol-1-ylphenyl) acetate
CID 67940109
2-[6-chloro-2-(hydroxymethyl)-3-pyridinyl]-5-pyrazol-1-ylphenol
CID 156844604

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol?
The IUPAC name of ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol (CID 143966234) is ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol.
What is the SMILES notation for ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol?
The canonical SMILES for ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol is CC.Cc1ccc(-n2cccn2)cc1CO.
What is the InChIKey of ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol?
The InChIKey is PCZNAQGWFXZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-9-3-4-11(7-10(9)8-14)13-6-2-5-12-13;1-2/h2-7,14H,8H2,1H3;1-2H3.
What are the key properties of ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol?
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol is sourced from PubChem (CID 143966234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).