2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide

C11H13N5O — CID 61305903

IUPAC2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCn1cc(Nc2ccc(N)c(C(N)=O)c2)cn1
InChIInChI=1S/C11H13N5O/c1-16-6-8(5-14-16)15-7-2-3-10(12)9(4-7)11(13)17/h2-6,15H,12H2,1H3,(H2,13,17)
InChIKeyTWNZUHBJYJTEMC-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide

2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide (PubChem CID 61305903) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
PubChem CID61305903
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCn1cc(Nc2ccc(N)c(C(N)=O)c2)cn1
InChIInChI=1S/C11H13N5O/c1-16-6-8(5-14-16)15-7-2-3-10(12)9(4-7)11(13)17/h2-6,15H,12H2,1H3,(H2,13,17)
InChIKeyTWNZUHBJYJTEMC-UHFFFAOYSA-N
XLogP0.84
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 81276848
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770557
4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide
CID 164587081
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
3-amino-4-[(1-methylpyrazol-4-yl)amino]benzoic acid
CID 54888093
1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
CID 106748992
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide?
The IUPAC name of 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide (CID 61305903) is 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide is Cn1cc(Nc2ccc(N)c(C(N)=O)c2)cn1.
What is the InChIKey of 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide?
The InChIKey is TWNZUHBJYJTEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-6-8(5-14-16)15-7-2-3-10(12)9(4-7)11(13)17/h2-6,15H,12H2,1H3,(H2,13,17).
What are the key properties of 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide?
2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide has a molecular weight of 231.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 61305903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).