2,6-bis(1-butylpyrazol-3-yl)pyridine

C19H25N5 — CID 102040151

IUPAC2,6-bis(1-butylpyrazol-3-yl)pyridine
SMILESCCCCn1ccc(-c2cccc(-c3ccn(CCCC)n3)n2)n1
InChIInChI=1S/C19H25N5/c1-3-5-12-23-14-10-18(21-23)16-8-7-9-17(20-16)19-11-15-24(22-19)13-6-4-2/h7-11,14-15H,3-6,12-13H2,1-2H3
InChIKeyMBOKGQLVCCTTKW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.41
Rot. Bonds8

About 2,6-bis(1-butylpyrazol-3-yl)pyridine

2,6-bis(1-butylpyrazol-3-yl)pyridine (PubChem CID 102040151) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,6-bis(1-butylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(1-butylpyrazol-3-yl)pyridine
PubChem CID102040151
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2,6-bis(1-butylpyrazol-3-yl)pyridine
SMILESCCCCn1ccc(-c2cccc(-c3ccn(CCCC)n3)n2)n1
InChIInChI=1S/C19H25N5/c1-3-5-12-23-14-10-18(21-23)16-8-7-9-17(20-16)19-11-15-24(22-19)13-6-4-2/h7-11,14-15H,3-6,12-13H2,1-2H3
InChIKeyMBOKGQLVCCTTKW-UHFFFAOYSA-N
XLogP4.41
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo(1,5-a)pyridine
CID 67507
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3,6-Di(2-pyridyl)pyridazine
CID 659563
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
Methyl-pyridin-4-yl-(2-vinyl-pyrrol-1-yl)-amine
CID 10375506
8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-2-(1-methyl-1H-pyrazol-5-yl)-1,6-naphthyridine
CID 118660621
N-(1-phenylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484735
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385
1,2,3,4-tetramethyl-8-phenyl-2H-dipyrrolo[1,2-b:3',4'-d]pyridazine
CID 946227

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-butylpyrazol-3-yl)pyridine?
The IUPAC name of 2,6-bis(1-butylpyrazol-3-yl)pyridine (CID 102040151) is 2,6-bis(1-butylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2,6-bis(1-butylpyrazol-3-yl)pyridine?
The canonical SMILES for 2,6-bis(1-butylpyrazol-3-yl)pyridine is CCCCn1ccc(-c2cccc(-c3ccn(CCCC)n3)n2)n1.
What is the InChIKey of 2,6-bis(1-butylpyrazol-3-yl)pyridine?
The InChIKey is MBOKGQLVCCTTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-5-12-23-14-10-18(21-23)16-8-7-9-17(20-16)19-11-15-24(22-19)13-6-4-2/h7-11,14-15H,3-6,12-13H2,1-2H3.
What are the key properties of 2,6-bis(1-butylpyrazol-3-yl)pyridine?
2,6-bis(1-butylpyrazol-3-yl)pyridine has a molecular weight of 323.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-butylpyrazol-3-yl)pyridine is sourced from PubChem (CID 102040151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).