4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine

C32H38N10 — CID 139145959

IUPAC4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1
InChIInChI=1S/2C16H19N5/c2*1-11-9-13(3)20(18-11)16(15-5-7-17-8-6-15)21-14(4)10-12(2)19-21/h2*5-10,16H,1-4H3
InChIKeyNDGWELKPPRDBLG-UHFFFAOYSA-N
MW562.73 g/mol
LogP5.61
Rot. Bonds6

About 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine

4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 139145959) has the molecular formula C32H38N10 and a molecular weight of 562.73 g/mol. Its IUPAC name is 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID139145959
Molecular FormulaC32H38N10
Molecular Weight562.73 g/mol
Exact Mass562.33
IUPAC Name4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1
InChIInChI=1S/2C16H19N5/c2*1-11-9-13(3)20(18-11)16(15-5-7-17-8-6-15)21-14(4)10-12(2)19-21/h2*5-10,16H,1-4H3
InChIKeyNDGWELKPPRDBLG-UHFFFAOYSA-N
XLogP5.61
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139147453
2-[Bis(3-phenylpyrazol-1-yl)methyl]pyridine
CID 46919838
2,6-Bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 102040927
3-[2-[(3-Methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine
CID 56822813
4-[Fluoro-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methyl]pyridine;4-[[4-fluoro-3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methyl]pyridine;4-[[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methyl]pyridine
CID 164091473
2-[Bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 15246044
1,4-Bis[bis(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzene
CID 101482825
4-[Bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 101585940
4-[2,6-Di(pyrazol-1-yl)-4-pyridinyl]-2,6-di(pyrazol-1-yl)pyridine
CID 101777015
4-[1-[2-(3-Pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine
CID 102166192
3-[1-[2-(3-Pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine
CID 102285258
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 102479602

Frequently Asked Questions

What is the IUPAC name of 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 139145959) is 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine is Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.
What is the InChIKey of 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is NDGWELKPPRDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N5/c2*1-11-9-13(3)20(18-11)16(15-5-7-17-8-6-15)21-14(4)10-12(2)19-21/h2*5-10,16H,1-4H3.
What are the key properties of 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 562.73 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 139145959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).