3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C15H20N4O2 — CID 104616291

IUPAC3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1N
InChIInChI=1S/C15H20N4O2/c1-4-21-13-6-5-10(7-11(13)16)15(20)17-14-8-12(9(2)3)18-19-14/h5-9H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyYYXUKIOMBKKITQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds5

About 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616291) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID104616291
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1N
InChIInChI=1S/C15H20N4O2/c1-4-21-13-6-5-10(7-11(13)16)15(20)17-14-8-12(9(2)3)18-19-14/h5-9H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyYYXUKIOMBKKITQ-UHFFFAOYSA-N
XLogP2.77
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 104616291) is 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is YYXUKIOMBKKITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-21-13-6-5-10(7-11(13)16)15(20)17-14-8-12(9(2)3)18-19-14/h5-9H,4,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).