1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide

C13H16N4O2 — CID 81299001

IUPAC1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cc(OC)ccc2CN)n1
InChIInChI=1S/C13H16N4O2/c1-15-13(18)11-5-6-17(16-11)12-7-10(19-2)4-3-9(12)8-14/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyIPJIIUKNLFOMHZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.70
Rot. Bonds4

About 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide

1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 81299001) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide
PubChem CID81299001
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cc(OC)ccc2CN)n1
InChIInChI=1S/C13H16N4O2/c1-15-13(18)11-5-6-17(16-11)12-7-10(19-2)4-3-9(12)8-14/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyIPJIIUKNLFOMHZ-UHFFFAOYSA-N
XLogP0.70
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)-5-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 64780985
1-(2-carbamothioyl-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 81303375
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
1-[4-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 107275116
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64781324
1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 107259743
1-[2-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 114879828
1-(2-amino-4-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64782075
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide
CID 64780365
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide (CID 81299001) is 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2cc(OC)ccc2CN)n1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is IPJIIUKNLFOMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-15-13(18)11-5-6-17(16-11)12-7-10(19-2)4-3-9(12)8-14/h3-7H,8,14H2,1-2H3,(H,15,18).
What are the key properties of 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide?
1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methoxyphenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 81299001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).