1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C10H14BrN5 — CID 114659289

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1nccn1C)c1c(Br)cnn1C
InChIInChI=1S/C10H14BrN5/c1-12-8(10-13-4-5-15(10)2)9-7(11)6-14-16(9)3/h4-6,8,12H,1-3H3
InChIKeyVJJQRZWAPXBVKL-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.22
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 114659289) has the molecular formula C10H14BrN5 and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID114659289
Molecular FormulaC10H14BrN5
Molecular Weight284.16 g/mol
Exact Mass283.04
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1nccn1C)c1c(Br)cnn1C
InChIInChI=1S/C10H14BrN5/c1-12-8(10-13-4-5-15(10)2)9-7(11)6-14-16(9)3/h4-6,8,12H,1-3H3
InChIKeyVJJQRZWAPXBVKL-UHFFFAOYSA-N
XLogP1.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 80538939
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659314
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114659306
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
CID 114658304
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61314637
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659313
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 114659289) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1nccn1C)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is VJJQRZWAPXBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5/c1-12-8(10-13-4-5-15(10)2)9-7(11)6-14-16(9)3/h4-6,8,12H,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 284.16 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 114659289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).