1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol

C15H20N2O — CID 115780396

IUPAC1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cnn(C)c1
InChIInChI=1S/C15H20N2O/c1-3-14(13-7-5-4-6-8-13)15(18)9-12-10-16-17(2)11-12/h4-8,10-11,14-15,18H,3,9H2,1-2H3
InChIKeyLSSMPVLQSJBYKW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.52
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol

1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol (PubChem CID 115780396) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
PubChem CID115780396
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cnn(C)c1
InChIInChI=1S/C15H20N2O/c1-3-14(13-7-5-4-6-8-13)15(18)9-12-10-16-17(2)11-12/h4-8,10-11,14-15,18H,3,9H2,1-2H3
InChIKeyLSSMPVLQSJBYKW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780635
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
CID 115780380
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
CID 116773579
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol
CID 55162724

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol (CID 115780396) is 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol is CCC(c1ccccc1)C(O)Cc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol?
The InChIKey is LSSMPVLQSJBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-14(13-7-5-4-6-8-13)15(18)9-12-10-16-17(2)11-12/h4-8,10-11,14-15,18H,3,9H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol?
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.52, 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)-3-phenylpentan-2-ol is sourced from PubChem (CID 115780396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).