2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine

C17H16ClN3 — CID 57160106

IUPAC2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1
InChIInChI=1S/C17H16ClN3/c1-12(2)16-11-15(13-6-8-14(18)9-7-13)20-21(16)17-5-3-4-10-19-17/h3-12H,1-2H3
InChIKeySWCACDSFROPMSY-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.71
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine

2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine (PubChem CID 57160106) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
PubChem CID57160106
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1
InChIInChI=1S/C17H16ClN3/c1-12(2)16-11-15(13-6-8-14(18)9-7-13)20-21(16)17-5-3-4-10-19-17/h3-12H,1-2H3
InChIKeySWCACDSFROPMSY-UHFFFAOYSA-N
XLogP4.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine
CID 176658957
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254
2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol
CID 67470683
2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
CID 138593461
N-(1-ethyl-6-oxo-3-pyridinyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide
CID 119042734
4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
CID 18778092
6-(4-chlorophenyl)-3-methylpyrimidin-4-one
CID 30463000
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
CID 25253103
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene
CID 155057395

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine (CID 57160106) is 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine is CC(C)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine?
The InChIKey is SWCACDSFROPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12(2)16-11-15(13-6-8-14(18)9-7-13)20-21(16)17-5-3-4-10-19-17/h3-12H,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine?
2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine has a molecular weight of 297.79 g/mol, XLogP of 4.71, 3 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-propan-2-ylpyrazol-1-yl]pyridine is sourced from PubChem (CID 57160106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).