2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine

C11H12ClN3 — CID 62471489

IUPAC2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(Cc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H12ClN3/c1-8-5-9(2)15(14-8)7-10-3-4-13-11(12)6-10/h3-6H,7H2,1-2H3
InChIKeyVVTUYXHMVGGAPA-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine

2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 62471489) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID62471489
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(Cc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H12ClN3/c1-8-5-9(2)15(14-8)7-10-3-4-13-11(12)6-10/h3-6H,7H2,1-2H3
InChIKeyVVTUYXHMVGGAPA-UHFFFAOYSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one
CID 62923727
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62470807
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzaldehyde
CID 166920797
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244
5-[1-[(2-chloro-4-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 90763135
1-[(2-chloro-4-pyridinyl)methyl]azepane-2,7-dione
CID 55075648
2-chloro-4-(chloromethyl)pyridine
CID 11126573
2-[(2-chloro-4-pyridinyl)methyl]phthalazin-1-one
CID 55075786

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 62471489) is 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine is Cc1cc(C)n(Cc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is VVTUYXHMVGGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-5-9(2)15(14-8)7-10-3-4-13-11(12)6-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 221.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 62471489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).