1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide

C12H14N4O — CID 107105885

IUPAC1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
SMILESCc1cccc(CN)c1-n1ccc(C(N)=O)n1
InChIInChI=1S/C12H14N4O/c1-8-3-2-4-9(7-13)11(8)16-6-5-10(15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17)
InChIKeyOVCCRYQCZCYECG-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.74
Rot. Bonds3

About 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide

1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide (PubChem CID 107105885) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
PubChem CID107105885
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
SMILESCc1cccc(CN)c1-n1ccc(C(N)=O)n1
InChIInChI=1S/C12H14N4O/c1-8-3-2-4-9(7-13)11(8)16-6-5-10(15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17)
InChIKeyOVCCRYQCZCYECG-UHFFFAOYSA-N
XLogP0.74
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 107105879
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]pyrazole-3-carboxamide
CID 107542386
1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
CID 107275115
[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82504473
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
methyl 3-amino-2-(3-carbamoylpyrazol-1-yl)benzoate
CID 112579519
1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide
CID 168944620
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 106877646
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide (CID 107105885) is 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide is Cc1cccc(CN)c1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is OVCCRYQCZCYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-3-2-4-9(7-13)11(8)16-6-5-10(15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17).
What are the key properties of 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide?
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107105885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).