2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine

C21H24ClN3 — CID 175292458

IUPAC2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCCCCC(C)(C)c1cccc(-n2nccc2-c2ccnc(Cl)c2)c1
InChIInChI=1S/C21H24ClN3/c1-4-5-11-21(2,3)17-7-6-8-18(15-17)25-19(10-13-24-25)16-9-12-23-20(22)14-16/h6-10,12-15H,4-5,11H2,1-3H3
InChIKeyVUXBHGNXBMVLLO-UHFFFAOYSA-N
MW353.90 g/mol
LogP6.06
Rot. Bonds6

About 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine

2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 175292458) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine
PubChem CID175292458
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCCCCC(C)(C)c1cccc(-n2nccc2-c2ccnc(Cl)c2)c1
InChIInChI=1S/C21H24ClN3/c1-4-5-11-21(2,3)17-7-6-8-18(15-17)25-19(10-13-24-25)16-9-12-23-20(22)14-16/h6-10,12-15H,4-5,11H2,1-3H3
InChIKeyVUXBHGNXBMVLLO-UHFFFAOYSA-N
XLogP6.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 56.06
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-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]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-chloro-4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 118555324
1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole
CID 144572904
4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 56956145
2-chloro-4-(2-methoxypentan-2-yl)pyridine
CID 123729466
1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
CID 107331042
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
2-[3-(trichloromethyl)phenyl]pyrazol-3-amine
CID 66721016
2-[3-[3-(benzotriazol-2-yl)-5-(2-methylheptan-2-yl)phenyl]-5-(2-methylheptan-2-yl)phenyl]benzotriazole
CID 70134658
carbon dioxide;2-chloro-4-[5-[3-chloro-5-(difluoromethoxy)phenyl]pyrazol-1-yl]pyridine
CID 157368984
1-(3-fluorophenyl)-5-[3-(4-fluorophenyl)phenyl]pyrazole
CID 174813852
3-(2-methyloctan-2-yl)pyridine
CID 126558457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine (CID 175292458) is 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine is CCCCC(C)(C)c1cccc(-n2nccc2-c2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is VUXBHGNXBMVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-4-5-11-21(2,3)17-7-6-8-18(15-17)25-19(10-13-24-25)16-9-12-23-20(22)14-16/h6-10,12-15H,4-5,11H2,1-3H3.
What are the key properties of 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine?
2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 353.90 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 175292458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).