2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine

C12H14ClN3 — CID 166258521

IUPAC2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine
SMILESCC(C)(C)n1cc(-c2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H14ClN3/c1-12(2,3)16-8-9(6-15-16)11-5-4-10(13)7-14-11/h4-8H,1-3H3
InChIKeyMZSGHJFBFVYTMS-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.35
Rot. Bonds1

About 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine

2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine (PubChem CID 166258521) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine.

Molecular Properties

Compound Name2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine
PubChem CID166258521
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine
SMILESCC(C)(C)n1cc(-c2ccc(Cl)cn2)cn1
InChIInChI=1S/C12H14ClN3/c1-12(2,3)16-8-9(6-15-16)11-5-4-10(13)7-14-11/h4-8H,1-3H3
InChIKeyMZSGHJFBFVYTMS-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine 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

Fauc 113
CID 10404144
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}pyridine
CID 4450788
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
3-Chloro-6-(pyridin-3-yl)pyridazine
CID 16732435
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 51588297
7-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)quinoline
CID 365206
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
2-(1H-pyrazol-4-yl)pyridine
CID 3578981
6-Chloro-3-phenyl-4-(pyridin-4-yl)Pyridazine
CID 87264666

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine?
The IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine (CID 166258521) is 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine.
What is the SMILES notation for 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine?
The canonical SMILES for 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine is CC(C)(C)n1cc(-c2ccc(Cl)cn2)cn1.
What is the InChIKey of 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine?
The InChIKey is MZSGHJFBFVYTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-12(2,3)16-8-9(6-15-16)11-5-4-10(13)7-14-11/h4-8H,1-3H3.
What are the key properties of 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine?
2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine has a molecular weight of 235.72 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine is sourced from PubChem (CID 166258521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).