3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C13H16N4O — CID 55261173

IUPAC3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CCN)c2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-9-7-12(17-16-9)15-13(18)11-4-2-3-10(8-11)5-6-14/h2-4,7-8H,5-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyJTERZMZGLACVOD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.47
Rot. Bonds4

About 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide

3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 55261173) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID55261173
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CCN)c2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-9-7-12(17-16-9)15-13(18)11-4-2-3-10(8-11)5-6-14/h2-4,7-8H,5-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyJTERZMZGLACVOD-UHFFFAOYSA-N
XLogP1.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
CID 62591368
N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide
CID 10983275
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
2-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60975112
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 55261173) is 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(CCN)c2)n[nH]1.
What is the InChIKey of 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JTERZMZGLACVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-7-12(17-16-9)15-13(18)11-4-2-3-10(8-11)5-6-14/h2-4,7-8H,5-6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 55261173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).