1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide

C13H15BrN4O — CID 102814437

IUPAC1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Br)cc(CN)c2)n1
InChIInChI=1S/C13H15BrN4O/c1-17(2)13(19)12-3-4-18(16-12)11-6-9(8-15)5-10(14)7-11/h3-7H,8,15H2,1-2H3
InChIKeyNRQBWPZIYFDOOA-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.80
Rot. Bonds3

About 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide

1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 102814437) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID102814437
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Br)cc(CN)c2)n1
InChIInChI=1S/C13H15BrN4O/c1-17(2)13(19)12-3-4-18(16-12)11-6-9(8-15)5-10(14)7-11/h3-7H,8,15H2,1-2H3
InChIKeyNRQBWPZIYFDOOA-UHFFFAOYSA-N
XLogP1.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781535
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780391
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 114870573
1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 80752575
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320
1-[4-(aminomethyl)pyridazin-3-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80508051
1-(4-amino-3-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 115499714
1-(4-bromo-2-nitrophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781574
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780746
N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119661346
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782087

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 102814437) is 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2cc(Br)cc(CN)c2)n1.
What is the InChIKey of 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is NRQBWPZIYFDOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-17(2)13(19)12-3-4-18(16-12)11-6-9(8-15)5-10(14)7-11/h3-7H,8,15H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 102814437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).