1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol

C17H24N2O — CID 105109667

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
SMILESCCn1nc(C)cc1CC(O)CCc1cccc(C)c1
InChIInChI=1S/C17H24N2O/c1-4-19-16(11-14(3)18-19)12-17(20)9-8-15-7-5-6-13(2)10-15/h5-7,10-11,17,20H,4,8-9,12H2,1-3H3
InChIKeyHWIRFHLRKVNKJZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol

1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol (PubChem CID 105109667) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
PubChem CID105109667
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
SMILESCCn1nc(C)cc1CC(O)CCc1cccc(C)c1
InChIInChI=1S/C17H24N2O/c1-4-19-16(11-14(3)18-19)12-17(20)9-8-15-7-5-6-13(2)10-15/h5-7,10-11,17,20H,4,8-9,12H2,1-3H3
InChIKeyHWIRFHLRKVNKJZ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-phenylbutan-2-yl]hydrazine
CID 105205592
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
CID 105162471
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
1-(3-methylphenyl)nonan-3-ol
CID 105085389

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol (CID 105109667) is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol is CCn1nc(C)cc1CC(O)CCc1cccc(C)c1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol?
The InChIKey is HWIRFHLRKVNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-19-16(11-14(3)18-19)12-17(20)9-8-15-7-5-6-13(2)10-15/h5-7,10-11,17,20H,4,8-9,12H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol?
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 105109667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).