1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide

C15H18N4O3 — CID 131908281

IUPAC1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(NC(=O)COC)cc2)n1
InChIInChI=1S/C15H18N4O3/c1-3-19-9-8-13(18-19)15(21)17-12-6-4-11(5-7-12)16-14(20)10-22-2/h4-9H,3,10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyJHZQCQJSJJPDLO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.74
Rot. Bonds6

About 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide

1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 131908281) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID131908281
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(NC(=O)COC)cc2)n1
InChIInChI=1S/C15H18N4O3/c1-3-19-9-8-13(18-19)15(21)17-12-6-4-11(5-7-12)16-14(20)10-22-2/h4-9H,3,10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyJHZQCQJSJJPDLO-UHFFFAOYSA-N
XLogP1.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
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CID 19262380
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
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CID 6466747
N,1-diethylpyrazole-3-carboxamide
CID 19262384
2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487715
1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35531873
methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748815
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide (CID 131908281) is 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(NC(=O)COC)cc2)n1.
What is the InChIKey of 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is JHZQCQJSJJPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-19-9-8-13(18-19)15(21)17-12-6-4-11(5-7-12)16-14(20)10-22-2/h4-9H,3,10H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide?
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131908281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).