2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol

C14H18N2O — CID 79007571

IUPAC2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C14H18N2O/c1-3-14(17,13-10-15-16(2)11-13)9-12-7-5-4-6-8-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyJOSRJWSSVFSOSU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.26
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol

2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol (PubChem CID 79007571) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
PubChem CID79007571
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C14H18N2O/c1-3-14(17,13-10-15-16(2)11-13)9-12-7-5-4-6-8-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyJOSRJWSSVFSOSU-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol
CID 62127136
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
CID 107045726
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
4-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1-methylpyrazole
CID 79453870
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636352
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636350
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol (CID 79007571) is 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol?
The InChIKey is JOSRJWSSVFSOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-14(17,13-10-15-16(2)11-13)9-12-7-5-4-6-8-12/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol?
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol is sourced from PubChem (CID 79007571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).