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

C15H20N2O — CID 62127136

IUPAC1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol
SMILESCCCC(O)(Cc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-9-15(18,14-7-5-4-6-8-14)10-13-11-16-17(2)12-13/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyPCWGEEVKIXFTKM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.65
Rot. Bonds5

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

1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol (PubChem CID 62127136) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol
PubChem CID62127136
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol
SMILESCCCC(O)(Cc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-9-15(18,14-7-5-4-6-8-14)10-13-11-16-17(2)12-13/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyPCWGEEVKIXFTKM-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
1-(4-bromophenyl)-2-phenylpentan-2-ol
CID 60797698
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
1,2-diphenylheptan-2-ol
CID 139785734
4-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1-methylpyrazole
CID 79453870
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
CID 62127656
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol (CID 62127136) is 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol is CCCC(O)(Cc1cnn(C)c1)c1ccccc1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol?
The InChIKey is PCWGEEVKIXFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-9-15(18,14-7-5-4-6-8-14)10-13-11-16-17(2)12-13/h4-8,11-12,18H,3,9-10H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol?
1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol is sourced from PubChem (CID 62127136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).