ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol

C13H18N2O — CID 168921661

IUPACethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
SMILESCC.Cn1nc(-c2ccccc2)cc1CO
InChIInChI=1S/C11H12N2O.C2H6/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9;1-2/h2-7,14H,8H2,1H3;1-2H3
InChIKeyWVFOWKXCWNFWMF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.61
Rot. Bonds2

About ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol

ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol (PubChem CID 168921661) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol.

Molecular Properties

Compound Nameethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
PubChem CID168921661
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
SMILESCC.Cn1nc(-c2ccccc2)cc1CO
InChIInChI=1S/C11H12N2O.C2H6/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9;1-2/h2-7,14H,8H2,1H3;1-2H3
InChIKeyWVFOWKXCWNFWMF-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methanol
CID 115093183
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-yl]methanol
CID 115092905
[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
CID 115092903
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine
CID 122165846
6-ethyl-2-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyrimidin-4-amine
CID 166363371
1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
CID 115092153
1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
CID 10727427
2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
(2S)-3-hydroxy-2-[(1-methyl-3-phenylpyrazol-5-yl)sulfonylamino]propanoic acid
CID 167974478
2-methyl-2-[4-[(1-methyl-3-phenylpyrazol-5-yl)methoxycarbonyl]phenyl]sulfanylpropanoic acid
CID 46701798

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol?
The IUPAC name of ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol (CID 168921661) is ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol.
What is the SMILES notation for ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol?
The canonical SMILES for ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol is CC.Cn1nc(-c2ccccc2)cc1CO.
What is the InChIKey of ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol?
The InChIKey is WVFOWKXCWNFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9;1-2/h2-7,14H,8H2,1H3;1-2H3.
What are the key properties of ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol?
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol is sourced from PubChem (CID 168921661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).