2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine

C16H20ClN3 — CID 129301800

IUPAC2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
SMILESCc1ccc(-c2cnn(CC3(C)CCCC3)c2)c(Cl)n1
InChIInChI=1S/C16H20ClN3/c1-12-5-6-14(15(17)19-12)13-9-18-20(10-13)11-16(2)7-3-4-8-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyOYPVYSFAWUHMBJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds3

About 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine

2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine (PubChem CID 129301800) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
PubChem CID129301800
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
SMILESCc1ccc(-c2cnn(CC3(C)CCCC3)c2)c(Cl)n1
InChIInChI=1S/C16H20ClN3/c1-12-5-6-14(15(17)19-12)13-9-18-20(10-13)11-16(2)7-3-4-8-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyOYPVYSFAWUHMBJ-UHFFFAOYSA-N
XLogP4.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine?
The IUPAC name of 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine (CID 129301800) is 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine is Cc1ccc(-c2cnn(CC3(C)CCCC3)c2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine?
The InChIKey is OYPVYSFAWUHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-5-6-14(15(17)19-12)13-9-18-20(10-13)11-16(2)7-3-4-8-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine?
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine has a molecular weight of 289.81 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 129301800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).