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

C12H14N4O — CID 55260016

IUPAC5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2C)n[nH]1
InChIInChI=1S/C12H14N4O/c1-7-3-4-9(13)6-10(7)12(17)14-11-5-8(2)15-16-11/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyKGIWEMKYHKWTBT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds2

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

5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 55260016) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID55260016
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2C)n[nH]1
InChIInChI=1S/C12H14N4O/c1-7-3-4-9(13)6-10(7)12(17)14-11-5-8(2)15-16-11/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyKGIWEMKYHKWTBT-UHFFFAOYSA-N
XLogP1.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 55260016) is 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(N)ccc2C)n[nH]1.
What is the InChIKey of 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is KGIWEMKYHKWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-3-4-9(13)6-10(7)12(17)14-11-5-8(2)15-16-11/h3-6H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 55260016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).