4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine

C15H18ClN3 — CID 113380789

IUPAC4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C15H18ClN3/c1-2-3-13-8-11(10-16)9-15(17-13)19-7-6-14(18-19)12-4-5-12/h6-9,12H,2-5,10H2,1H3
InChIKeyFRFXFSZMOVLFRX-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.84
Rot. Bonds5

About 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine

4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine (PubChem CID 113380789) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
PubChem CID113380789
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C15H18ClN3/c1-2-3-13-8-11(10-16)9-15(17-13)19-7-6-14(18-19)12-4-5-12/h6-9,12H,2-5,10H2,1H3
InChIKeyFRFXFSZMOVLFRX-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine 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 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine?
The IUPAC name of 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine (CID 113380789) is 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine is CCCc1cc(CCl)cc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine?
The InChIKey is FRFXFSZMOVLFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-3-13-8-11(10-16)9-15(17-13)19-7-6-14(18-19)12-4-5-12/h6-9,12H,2-5,10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine?
4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine has a molecular weight of 275.78 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine is sourced from PubChem (CID 113380789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).