4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine

C11H12ClN3 — CID 62718920

IUPAC4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine
SMILESClCCCc1cnn(-c2ccncc2)c1
InChIInChI=1S/C11H12ClN3/c12-5-1-2-10-8-14-15(9-10)11-3-6-13-7-4-11/h3-4,6-9H,1-2,5H2
InChIKeyVLUOWEIDCUQLKK-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.44
Rot. Bonds4

About 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine

4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine (PubChem CID 62718920) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine
PubChem CID62718920
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine
SMILESClCCCc1cnn(-c2ccncc2)c1
InChIInChI=1S/C11H12ClN3/c12-5-1-2-10-8-14-15(9-10)11-3-6-13-7-4-11/h3-4,6-9H,1-2,5H2
InChIKeyVLUOWEIDCUQLKK-UHFFFAOYSA-N
XLogP2.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 20983373
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
4-(3-chloropropyl)-1-propan-2-ylpyrazole
CID 62719458
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
1-phenyl-4-propylpyrazole
CID 12902534
4-(3-chloropropyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 63278715
4-hexyl-1-(4-methoxyphenyl)pyrazole
CID 122206793
4-[4-(2-bromoethyl)pyrazol-1-yl]pyrimidine
CID 130540923
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83881516
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine?
The IUPAC name of 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine (CID 62718920) is 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine is ClCCCc1cnn(-c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine?
The InChIKey is VLUOWEIDCUQLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-5-1-2-10-8-14-15(9-10)11-3-6-13-7-4-11/h3-4,6-9H,1-2,5H2.
What are the key properties of 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine?
4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine has a molecular weight of 221.69 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 62718920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).