3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol

C12H13ClN2O — CID 2805410

IUPAC3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H13ClN2O/c13-10-5-3-9(4-6-10)12-8-11(14-15-12)2-1-7-16/h3-6,8,16H,1-2,7H2,(H,14,15)
InChIKeyLCSHOKGEMMNVDH-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.65
Rot. Bonds4

About 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol

3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 2805410) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID2805410
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H13ClN2O/c13-10-5-3-9(4-6-10)12-8-11(14-15-12)2-1-7-16/h3-6,8,16H,1-2,7H2,(H,14,15)
InChIKeyLCSHOKGEMMNVDH-UHFFFAOYSA-N
XLogP2.65
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol (CID 2805410) is 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol is OCCCc1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is LCSHOKGEMMNVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-5-3-9(4-6-10)12-8-11(14-15-12)2-1-7-16/h3-6,8,16H,1-2,7H2,(H,14,15).
What are the key properties of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 236.70 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 2805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).