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

C16H19Br3N6 — CID 15039839

IUPAC1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole
SMILESCc1nn(C(n2nc(C)c(Br)c2C)n2nc(C)c(Br)c2C)c(C)c1Br
InChIInChI=1S/C16H19Br3N6/c1-7-13(17)10(4)23(20-7)16(24-11(5)14(18)8(2)21-24)25-12(6)15(19)9(3)22-25/h16H,1-6H3
InChIKeyXWHKWOJZKAOHHE-UHFFFAOYSA-N
MW535.08 g/mol
LogP4.97
Rot. Bonds3

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

1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole (PubChem CID 15039839) has the molecular formula C16H19Br3N6 and a molecular weight of 535.08 g/mol. Its IUPAC name is 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole
PubChem CID15039839
Molecular FormulaC16H19Br3N6
Molecular Weight535.08 g/mol
Exact Mass531.92
IUPAC Name1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole
SMILESCc1nn(C(n2nc(C)c(Br)c2C)n2nc(C)c(Br)c2C)c(C)c1Br
InChIInChI=1S/C16H19Br3N6/c1-7-13(17)10(4)23(20-7)16(24-11(5)14(18)8(2)21-24)25-12(6)15(19)9(3)22-25/h16H,1-6H3
InChIKeyXWHKWOJZKAOHHE-UHFFFAOYSA-N
XLogP4.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.08
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tris(3,5-dimethyl-1-pyrazolyl)methane
CID 4359225
Tris(3,5-dimethyl-1-pyrazolylmethyl)amine
CID 12820769
1H-Pyrazole, 1,1',1''-methylidynetris[3,4,5-trimethyl-
CID 12054059
Bis(4-bromo-3,5-dimeth-ylpyrazol-1-yl)methane
CID 15862196
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]methanamine
CID 102357784
1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 16640637
1-[Bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole
CID 139919703
1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 7017863
Acetonitrile;1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole;copper(1+);tetrafluoroborate
CID 44817531
1-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine chloride
CID 49951074
1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine
CID 102357783
N-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-methylethanamine
CID 130616474

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole?
The IUPAC name of 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole (CID 15039839) is 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole?
The canonical SMILES for 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole is Cc1nn(C(n2nc(C)c(Br)c2C)n2nc(C)c(Br)c2C)c(C)c1Br.
What is the InChIKey of 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole?
The InChIKey is XWHKWOJZKAOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br3N6/c1-7-13(17)10(4)23(20-7)16(24-11(5)14(18)8(2)21-24)25-12(6)15(19)9(3)22-25/h16H,1-6H3.
What are the key properties of 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole?
1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole has a molecular weight of 535.08 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole is sourced from PubChem (CID 15039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).