2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine

C12H14ClN3 — CID 66021419

IUPAC2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine
SMILESCc1ccnc(-n2nc(C(C)C)cc2Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8(2)10-7-11(13)16(15-10)12-6-9(3)4-5-14-12/h4-8H,1-3H3
InChIKeyAEZCNAMZCPARPM-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.35
Rot. Bonds2

About 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine

2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine (PubChem CID 66021419) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine
PubChem CID66021419
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine
SMILESCc1ccnc(-n2nc(C(C)C)cc2Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8(2)10-7-11(13)16(15-10)12-6-9(3)4-5-14-12/h4-8H,1-3H3
InChIKeyAEZCNAMZCPARPM-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine?
The IUPAC name of 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine (CID 66021419) is 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine.
What is the SMILES notation for 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine?
The canonical SMILES for 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine is Cc1ccnc(-n2nc(C(C)C)cc2Cl)c1.
What is the InChIKey of 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine?
The InChIKey is AEZCNAMZCPARPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(2)10-7-11(13)16(15-10)12-6-9(3)4-5-14-12/h4-8H,1-3H3.
What are the key properties of 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine?
2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine has a molecular weight of 235.72 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-propan-2-ylpyrazol-1-yl)-4-methylpyridine is sourced from PubChem (CID 66021419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).