1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole

C25H40N6 — CID 15770084

IUPAC1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole
SMILESCc1cc(C(C)(C)C)nn1C(n1nc(C(C)(C)C)cc1C)n1nc(C(C)(C)C)cc1C
InChIInChI=1S/C25H40N6/c1-16-13-19(23(4,5)6)26-29(16)22(30-17(2)14-20(27-30)24(7,8)9)31-18(3)15-21(28-31)25(10,11)12/h13-15,22H,1-12H3
InChIKeyFTIWGAOXPBNURA-UHFFFAOYSA-N
MW424.64 g/mol
LogP5.65
Rot. Bonds3

About 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole

1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole (PubChem CID 15770084) has the molecular formula C25H40N6 and a molecular weight of 424.64 g/mol. Its IUPAC name is 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole.

Molecular Properties

Compound Name1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole
PubChem CID15770084
Molecular FormulaC25H40N6
Molecular Weight424.64 g/mol
Exact Mass424.33
IUPAC Name1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole
SMILESCc1cc(C(C)(C)C)nn1C(n1nc(C(C)(C)C)cc1C)n1nc(C(C)(C)C)cc1C
InChIInChI=1S/C25H40N6/c1-16-13-19(23(4,5)6)26-29(16)22(30-17(2)14-20(27-30)24(7,8)9)31-18(3)15-21(28-31)25(10,11)12/h13-15,22H,1-12H3
InChIKeyFTIWGAOXPBNURA-UHFFFAOYSA-N
XLogP5.65
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.64
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tris(3,5-dimethyl-1-pyrazolyl)methane
CID 4359225
1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-
CID 5245492
Tris(3,5-dimethyl-1-pyrazolylmethyl)amine
CID 12820769
Bis(3,5-di-tert-butyl-1H-pyrazole-1-yl)methane
CID 7315584
1H-Pyrazole, 1,1',1''-methylidynetris[3-(1-methylethyl)-
CID 12057025
1-[[3,5-Di(propan-2-yl)pyrazol-1-yl]methyl]-3,5-di(propan-2-yl)pyrazole
CID 12074516
1H-Pyrazole, 1,1',1''-methylidynetris[3,5-bis(1-methylethyl)-
CID 12101076
1,1',1''-Methanetriyltris(3-tert-butyl-1H-pyrazole)
CID 15791962
1-[Bis(3,5-diethylpyrazol-1-yl)methyl]-3,5-diethylpyrazole
CID 17840452
1-[Bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole
CID 139919697
1-[Bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-3-(trifluoromethyl)pyrazole
CID 139919707
1-[Bis(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)methyl]-3-tert-butyl-5-propan-2-ylpyrazole
CID 90885433

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole?
The IUPAC name of 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole (CID 15770084) is 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole.
What is the SMILES notation for 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole?
The canonical SMILES for 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole is Cc1cc(C(C)(C)C)nn1C(n1nc(C(C)(C)C)cc1C)n1nc(C(C)(C)C)cc1C.
What is the InChIKey of 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole?
The InChIKey is FTIWGAOXPBNURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N6/c1-16-13-19(23(4,5)6)26-29(16)22(30-17(2)14-20(27-30)24(7,8)9)31-18(3)15-21(28-31)25(10,11)12/h13-15,22H,1-12H3.
What are the key properties of 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole?
1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole has a molecular weight of 424.64 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-tert-butyl-5-methylpyrazol-1-yl)methyl]-3-tert-butyl-5-methylpyrazole is sourced from PubChem (CID 15770084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).