1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide

C11H11BrN4O — CID 107275115

IUPAC1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
SMILESNCc1ccc(-n2ccc(C(N)=O)n2)cc1Br
InChIInChI=1S/C11H11BrN4O/c12-9-5-8(2-1-7(9)6-13)16-4-3-10(15-16)11(14)17/h1-5H,6,13H2,(H2,14,17)
InChIKeyIPZZLQLSTURGRZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.19
Rot. Bonds3

About 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide

1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide (PubChem CID 107275115) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
PubChem CID107275115
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
SMILESNCc1ccc(-n2ccc(C(N)=O)n2)cc1Br
InChIInChI=1S/C11H11BrN4O/c12-9-5-8(2-1-7(9)6-13)16-4-3-10(15-16)11(14)17/h1-5H,6,13H2,(H2,14,17)
InChIKeyIPZZLQLSTURGRZ-UHFFFAOYSA-N
XLogP1.19
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 107275116
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 107275092
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782312
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64781324
1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide
CID 141144470
1-(3-bromo-4-carbamothioylphenyl)-N-methylpyrazole-3-carboxamide
CID 107278233
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]pyrazole-3-carboxamide
CID 107542386

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide (CID 107275115) is 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide is NCc1ccc(-n2ccc(C(N)=O)n2)cc1Br.
What is the InChIKey of 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide?
The InChIKey is IPZZLQLSTURGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-9-5-8(2-1-7(9)6-13)16-4-3-10(15-16)11(14)17/h1-5H,6,13H2,(H2,14,17).
What are the key properties of 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide?
1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107275115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).