2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine

C15H14ClN3 — CID 155406104

IUPAC2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
SMILESCC1=NN(c2ccccn2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H14ClN3/c1-11-10-14(12-5-7-13(16)8-6-12)19(18-11)15-4-2-3-9-17-15/h2-9,14H,10H2,1H3
InChIKeyJAZZSANMHRFMEW-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.06
Rot. Bonds2

About 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine

2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine (PubChem CID 155406104) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
PubChem CID155406104
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
SMILESCC1=NN(c2ccccn2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H14ClN3/c1-11-10-14(12-5-7-13(16)8-6-12)19(18-11)15-4-2-3-9-17-15/h2-9,14H,10H2,1H3
InChIKeyJAZZSANMHRFMEW-UHFFFAOYSA-N
XLogP4.06
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine (CID 155406104) is 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine is CC1=NN(c2ccccn2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine?
The InChIKey is JAZZSANMHRFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-11-10-14(12-5-7-13(16)8-6-12)19(18-11)15-4-2-3-9-17-15/h2-9,14H,10H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine?
2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine has a molecular weight of 271.75 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine is sourced from PubChem (CID 155406104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).