3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol

C9H13ClN2O — CID 19621845

IUPAC3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol
SMILESOCCCn1cc(Cl)c(C2CC2)n1
InChIInChI=1S/C9H13ClN2O/c10-8-6-12(4-1-5-13)11-9(8)7-2-3-7/h6-7,13H,1-5H2
InChIKeyPCPYENFPXCVBCH-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.80
Rot. Bonds4

About 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol

3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol (PubChem CID 19621845) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol
PubChem CID19621845
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol
SMILESOCCCn1cc(Cl)c(C2CC2)n1
InChIInChI=1S/C9H13ClN2O/c10-8-6-12(4-1-5-13)11-9(8)7-2-3-7/h6-7,13H,1-5H2
InChIKeyPCPYENFPXCVBCH-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol (CID 19621845) is 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol is OCCCn1cc(Cl)c(C2CC2)n1.
What is the InChIKey of 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol?
The InChIKey is PCPYENFPXCVBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-8-6-12(4-1-5-13)11-9(8)7-2-3-7/h6-7,13H,1-5H2.
What are the key properties of 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol?
3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 19621845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).