1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide

C13H16N4O — CID 79170438

IUPAC1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cccc(C(C)N)c2)n1
InChIInChI=1S/C13H16N4O/c1-9(14)10-4-3-5-11(8-10)17-7-6-12(16-17)13(18)15-2/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyDLWZZOKEHMOKPT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.25
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide

1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 79170438) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID79170438
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cccc(C(C)N)c2)n1
InChIInChI=1S/C13H16N4O/c1-9(14)10-4-3-5-11(8-10)17-7-6-12(16-17)13(18)15-2/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyDLWZZOKEHMOKPT-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 83127022
1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 64780236
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64780581
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780401
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
1-[4-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 107275116
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780391
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
CID 94677135
1-(3-bromo-4-carbamothioylphenyl)-N-methylpyrazole-3-carboxamide
CID 107278233
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 64780776

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide (CID 79170438) is 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2cccc(C(C)N)c2)n1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is DLWZZOKEHMOKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(14)10-4-3-5-11(8-10)17-7-6-12(16-17)13(18)15-2/h3-9H,14H2,1-2H3,(H,15,18).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide?
1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 79170438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).