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

C12H14N4O — CID 113433320

IUPAC3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(N)c2)n[nH]1
InChIInChI=1S/C12H14N4O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H2,14,15,16,17)
InChIKeyOSSIOHWROWNGGA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.81
Rot. Bonds3

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

3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113433320) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
PubChem CID113433320
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(N)c2)n[nH]1
InChIInChI=1S/C12H14N4O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H2,14,15,16,17)
InChIKeyOSSIOHWROWNGGA-UHFFFAOYSA-N
XLogP1.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.81
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

3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
N-(5-ethyl-1H-pyrazol-3-yl)quinoxaline-6-carboxamide
CID 115884080
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616057
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
CID 47423292

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (CID 113433320) is 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is CCc1cc(NC(=O)c2cccc(N)c2)n[nH]1.
What is the InChIKey of 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is OSSIOHWROWNGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113433320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).