1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide

C11H12N4O — CID 64782828

IUPAC1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
SMILESNCc1ccccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C11H12N4O/c12-7-8-3-1-2-4-10(8)15-6-5-9(14-15)11(13)16/h1-6H,7,12H2,(H2,13,16)
InChIKeyHERPIWASLSJSNE-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.43
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide

1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 64782828) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
PubChem CID64782828
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
SMILESNCc1ccccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C11H12N4O/c12-7-8-3-1-2-4-10(8)15-6-5-9(14-15)11(13)16/h1-6H,7,12H2,(H2,13,16)
InChIKeyHERPIWASLSJSNE-UHFFFAOYSA-N
XLogP0.43
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
CID 113358878
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
CID 107275115
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
N-[1-[2-(aminomethyl)phenyl]pyrazol-3-yl]-2-bromobenzamide
CID 174774870
1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide
CID 113388888
3-(bromomethyl)-1-(2-ethylphenyl)pyrazole
CID 84617468
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]pyrazole-3-carboxamide
CID 107542386
1-(4-carbamothioyl-2-fluorophenyl)pyrazole-3-carboxamide
CID 64781527
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide (CID 64782828) is 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide is NCc1ccccc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is HERPIWASLSJSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-7-8-3-1-2-4-10(8)15-6-5-9(14-15)11(13)16/h1-6H,7,12H2,(H2,13,16).
What are the key properties of 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide?
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64782828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).