3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine

C16H11ClN6 — CID 58336788

IUPAC3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
SMILESClc1cccnc1-n1ccc(-c2cnn(-c3cccnc3)c2)n1
InChIInChI=1S/C16H11ClN6/c17-14-4-2-7-19-16(14)22-8-5-15(21-22)12-9-20-23(11-12)13-3-1-6-18-10-13/h1-11H
InChIKeyOBAOKXUEQPULNO-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine

3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine (PubChem CID 58336788) has the molecular formula C16H11ClN6 and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
PubChem CID58336788
Molecular FormulaC16H11ClN6
Molecular Weight322.76 g/mol
Exact Mass322.07
IUPAC Name3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
SMILESClc1cccnc1-n1ccc(-c2cnn(-c3cccnc3)c2)n1
InChIInChI=1S/C16H11ClN6/c17-14-4-2-7-19-16(14)22-8-5-15(21-22)12-9-20-23(11-12)13-3-1-6-18-10-13/h1-11H
InChIKeyOBAOKXUEQPULNO-UHFFFAOYSA-N
XLogP3.17
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 123917950
2-pyrazol-1-yl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336838
3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
CID 91004341
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline
CID 63338157
1-(3-chloro-2-pyridinyl)pyrazol-4-amine
CID 61175251
4-pyridin-2-yl-2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
CID 58336755
2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
CID 90288406
3-(3-chloropyrazol-1-yl)pyridine;hydrochloride
CID 118023472
1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
CID 130684274
[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82507728
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
CID 141187015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine (CID 58336788) is 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine is Clc1cccnc1-n1ccc(-c2cnn(-c3cccnc3)c2)n1.
What is the InChIKey of 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine?
The InChIKey is OBAOKXUEQPULNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6/c17-14-4-2-7-19-16(14)22-8-5-15(21-22)12-9-20-23(11-12)13-3-1-6-18-10-13/h1-11H.
What are the key properties of 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine?
3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine has a molecular weight of 322.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 58336788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).