1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol

C14H17ClN2O — CID 105129706

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C14H17ClN2O/c1-10-5-3-4-6-11(10)7-8-13(18)14-12(15)9-16-17(14)2/h3-6,9,13,18H,7-8H2,1-2H3
InChIKeyJXEUOTHPQDLYMY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 105129706) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
PubChem CID105129706
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C14H17ClN2O/c1-10-5-3-4-6-11(10)7-8-13(18)14-12(15)9-16-17(14)2/h3-6,9,13,18H,7-8H2,1-2H3
InChIKeyJXEUOTHPQDLYMY-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105186017
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554
1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105098854
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol (CID 105129706) is 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CCC(O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is JXEUOTHPQDLYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10-5-3-4-6-11(10)7-8-13(18)14-12(15)9-16-17(14)2/h3-6,9,13,18H,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 264.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105129706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).