1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole

C13H16N6 — CID 101107320

IUPAC1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole
SMILESCc1ccnn1C(n1nccc1C)n1nccc1C
InChIInChI=1S/C13H16N6/c1-10-4-7-14-17(10)13(18-11(2)5-8-15-18)19-12(3)6-9-16-19/h4-9,13H,1-3H3
InChIKeyNXUWQIKTGLSQFD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds3

About 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole

1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole (PubChem CID 101107320) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole
PubChem CID101107320
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole
SMILESCc1ccnn1C(n1nccc1C)n1nccc1C
InChIInChI=1S/C13H16N6/c1-10-4-7-14-17(10)13(18-11(2)5-8-15-18)19-12(3)6-9-16-19/h4-9,13H,1-3H3
InChIKeyNXUWQIKTGLSQFD-UHFFFAOYSA-N
XLogP1.75
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tris(3,5-dimethyl-1-pyrazolyl)methane
CID 4359225
Tris(1-pyrazolyl)methane
CID 5243808
Tris(3,5-dimethyl-1-pyrazolylmethyl)amine
CID 12820769
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
1,3-bis[(3-methyl-1H-pyrazol-1-yl)methyl]imidazolidine-2-thione
CID 2245195
5-[Bis[(2-methylpyrazol-3-yl)methyl]phosphorylmethyl]-1-methylpyrazole
CID 172447332
Tris(3-methylpyrazol-1-yl)methane
CID 12054069
1H-Pyrazole, 1,1',1''-methylidynetris[3-(1-methylethyl)-
CID 12057025
1,1',1''-Methanetriyltris(3-tert-butyl-1H-pyrazole)
CID 15791962
1-[Bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole
CID 22496861
1-[Bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;dichloromanganese
CID 22496871
1-[Bis[3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(trifluoromethyl)pyrazole;dichloromanganese
CID 87432214

Frequently Asked Questions

What is the IUPAC name of 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole?
The IUPAC name of 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole (CID 101107320) is 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole?
The canonical SMILES for 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole is Cc1ccnn1C(n1nccc1C)n1nccc1C.
What is the InChIKey of 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole?
The InChIKey is NXUWQIKTGLSQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-10-4-7-14-17(10)13(18-11(2)5-8-15-18)19-12(3)6-9-16-19/h4-9,13H,1-3H3.
What are the key properties of 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole?
1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole has a molecular weight of 256.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(5-methylpyrazol-1-yl)methyl]-5-methylpyrazole is sourced from PubChem (CID 101107320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).