3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide

C16H14N4O3 — CID 14198990

IUPAC3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide
SMILESNc1cc(=O)[nH]n1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H14N4O3/c17-14-10-15(21)19-20(14)16(22)18-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,17H2,(H,18,22)(H,19,21)
InChIKeyBNEXIYCLNBQYSC-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.63
Rot. Bonds3

About 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide

3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide (PubChem CID 14198990) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide
PubChem CID14198990
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide
SMILESNc1cc(=O)[nH]n1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H14N4O3/c17-14-10-15(21)19-20(14)16(22)18-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,17H2,(H,18,22)(H,19,21)
InChIKeyBNEXIYCLNBQYSC-UHFFFAOYSA-N
XLogP2.63
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide?
The IUPAC name of 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide (CID 14198990) is 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide?
The canonical SMILES for 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide is Nc1cc(=O)[nH]n1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide?
The InChIKey is BNEXIYCLNBQYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-14-10-15(21)19-20(14)16(22)18-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,17H2,(H,18,22)(H,19,21).
What are the key properties of 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide?
3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-oxo-N-(4-phenoxyphenyl)-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 14198990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).