1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol

C12H13ClN2O — CID 117345834

IUPAC1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-9(16)7-10-3-4-12(11(13)8-10)15-6-2-5-14-15/h2-6,8-9,16H,7H2,1H3
InChIKeyKALJUJOOUBYPBT-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol

1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol (PubChem CID 117345834) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol
PubChem CID117345834
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-9(16)7-10-3-4-12(11(13)8-10)15-6-2-5-14-15/h2-6,8-9,16H,7H2,1H3
InChIKeyKALJUJOOUBYPBT-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol (CID 117345834) is 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol is CC(O)Cc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol?
The InChIKey is KALJUJOOUBYPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9(16)7-10-3-4-12(11(13)8-10)15-6-2-5-14-15/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol?
1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol has a molecular weight of 236.70 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyrazol-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 117345834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).