N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide

C12H12N4O3 — CID 112550736

IUPACN-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)CONC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H12N4O3/c13-11(17)8-19-15-12(18)9-6-14-16(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H2,13,17)(H,15,18)
InChIKeySQLBNFHFGZECEH-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.02
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide

N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide (PubChem CID 112550736) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide
PubChem CID112550736
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)CONC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H12N4O3/c13-11(17)8-19-15-12(18)9-6-14-16(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H2,13,17)(H,15,18)
InChIKeySQLBNFHFGZECEH-UHFFFAOYSA-N
XLogP0.02
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
2-oxopropyl 1-phenylpyrazole-4-carboxylate
CID 55425880
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide (CID 112550736) is N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide is NC(=O)CONC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide?
The InChIKey is SQLBNFHFGZECEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-11(17)8-19-15-12(18)9-6-14-16(7-9)10-4-2-1-3-5-10/h1-7H,8H2,(H2,13,17)(H,15,18).
What are the key properties of N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide?
N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112550736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).