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

C13H17N5O — CID 112579298

IUPAC3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
SMILESCn1cc(CCNc2c(N)cccc2C(N)=O)cn1
InChIInChI=1S/C13H17N5O/c1-18-8-9(7-17-18)5-6-16-12-10(13(15)19)3-2-4-11(12)14/h2-4,7-8,16H,5-6,14H2,1H3,(H2,15,19)
InChIKeyRBHPTRZLMHCTHP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide

3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide (PubChem CID 112579298) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
PubChem CID112579298
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
SMILESCn1cc(CCNc2c(N)cccc2C(N)=O)cn1
InChIInChI=1S/C13H17N5O/c1-18-8-9(7-17-18)5-6-16-12-10(13(15)19)3-2-4-11(12)14/h2-4,7-8,16H,5-6,14H2,1H3,(H2,15,19)
InChIKeyRBHPTRZLMHCTHP-UHFFFAOYSA-N
XLogP0.76
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.76
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

3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 112579297
3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 114144102
3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 81420546
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80686824
2-bromo-6-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 114882588
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 133443201

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide (CID 112579298) is 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide is Cn1cc(CCNc2c(N)cccc2C(N)=O)cn1.
What is the InChIKey of 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
The InChIKey is RBHPTRZLMHCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-8-9(7-17-18)5-6-16-12-10(13(15)19)3-2-4-11(12)14/h2-4,7-8,16H,5-6,14H2,1H3,(H2,15,19).
What are the key properties of 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide is sourced from PubChem (CID 112579298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).