2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C12H14N4O — CID 63819390

IUPAC2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2c(C)cccc2N)n[nH]1
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9(13)11(7)12(17)14-10-6-8(2)15-16-10/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyNKPSPOZLYBUYSZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 63819390) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID63819390
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2c(C)cccc2N)n[nH]1
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9(13)11(7)12(17)14-10-6-8(2)15-16-10/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyNKPSPOZLYBUYSZ-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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Related Compounds

2-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60975112
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
CID 28893236
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
5-amino-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 81316584
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 47148561
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 63819390) is 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2c(C)cccc2N)n[nH]1.
What is the InChIKey of 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is NKPSPOZLYBUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-3-5-9(13)11(7)12(17)14-10-6-8(2)15-16-10/h3-6H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
2-amino-6-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 2-amino-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 63819390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).