N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide

C14H16N4O2 — CID 6470772

IUPACN-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C14H16N4O2/c1-3-18-8-7-13(17-18)14(20)16-12-6-4-5-11(9-12)15-10(2)19/h4-9H,3H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyJKBIOTMCJVRBJE-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.11
Rot. Bonds4

About N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide

N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 6470772) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID6470772
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C14H16N4O2/c1-3-18-8-7-13(17-18)14(20)16-12-6-4-5-11(9-12)15-10(2)19/h4-9H,3H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyJKBIOTMCJVRBJE-UHFFFAOYSA-N
XLogP2.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
N-[3-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493493
N,1-diethylpyrazole-3-carboxamide
CID 19262384
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide (CID 6470772) is N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is JKBIOTMCJVRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-18-8-7-13(17-18)14(20)16-12-6-4-5-11(9-12)15-10(2)19/h4-9H,3H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide?
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 6470772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).