3-(4-chloropyrazol-1-yl)propan-1-ol

C6H9ClN2O — CID 19616529

IUPAC3-(4-chloropyrazol-1-yl)propan-1-ol
SMILESOCCCn1cc(Cl)cn1
InChIInChI=1S/C6H9ClN2O/c7-6-4-8-9(5-6)2-1-3-10/h4-5,10H,1-3H2
InChIKeyPGMOLCILTNICAC-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.92
Rot. Bonds3

About 3-(4-chloropyrazol-1-yl)propan-1-ol

3-(4-chloropyrazol-1-yl)propan-1-ol (PubChem CID 19616529) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)propan-1-ol
PubChem CID19616529
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name3-(4-chloropyrazol-1-yl)propan-1-ol
SMILESOCCCn1cc(Cl)cn1
InChIInChI=1S/C6H9ClN2O/c7-6-4-8-9(5-6)2-1-3-10/h4-5,10H,1-3H2
InChIKeyPGMOLCILTNICAC-UHFFFAOYSA-N
XLogP0.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)propan-1-ol?
The IUPAC name of 3-(4-chloropyrazol-1-yl)propan-1-ol (CID 19616529) is 3-(4-chloropyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)propan-1-ol is OCCCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)propan-1-ol?
The InChIKey is PGMOLCILTNICAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c7-6-4-8-9(5-6)2-1-3-10/h4-5,10H,1-3H2.
What are the key properties of 3-(4-chloropyrazol-1-yl)propan-1-ol?
3-(4-chloropyrazol-1-yl)propan-1-ol has a molecular weight of 160.60 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 19616529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).