4-amino-N-(1-ethylpyrazol-4-yl)benzamide

C12H14N4O — CID 43543193

IUPAC4-amino-N-(1-ethylpyrazol-4-yl)benzamide
SMILESCCn1cc(NC(=O)c2ccc(N)cc2)cn1
InChIInChI=1S/C12H14N4O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3,(H,15,17)
InChIKeyFASKKGPBKLATAW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-N-(1-ethylpyrazol-4-yl)benzamide

4-amino-N-(1-ethylpyrazol-4-yl)benzamide (PubChem CID 43543193) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpyrazol-4-yl)benzamide
PubChem CID43543193
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-amino-N-(1-ethylpyrazol-4-yl)benzamide
SMILESCCn1cc(NC(=O)c2ccc(N)cc2)cn1
InChIInChI=1S/C12H14N4O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3,(H,15,17)
InChIKeyFASKKGPBKLATAW-UHFFFAOYSA-N
XLogP1.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 43643732
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
CID 43429927
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)benzamide (CID 43543193) is 4-amino-N-(1-ethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-amino-N-(1-ethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-amino-N-(1-ethylpyrazol-4-yl)benzamide is CCn1cc(NC(=O)c2ccc(N)cc2)cn1.
What is the InChIKey of 4-amino-N-(1-ethylpyrazol-4-yl)benzamide?
The InChIKey is FASKKGPBKLATAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(1-ethylpyrazol-4-yl)benzamide?
4-amino-N-(1-ethylpyrazol-4-yl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 43543193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).