3-(4-phenoxyphenyl)pyrazole-1-carboxamide

C16H13N3O2 — CID 11300443

IUPAC3-(4-phenoxyphenyl)pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H13N3O2/c17-16(20)19-11-10-15(18-19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H2,17,20)
InChIKeyFTVGTSUFLFFSDY-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.27
Rot. Bonds3

About 3-(4-phenoxyphenyl)pyrazole-1-carboxamide

3-(4-phenoxyphenyl)pyrazole-1-carboxamide (PubChem CID 11300443) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)pyrazole-1-carboxamide
PubChem CID11300443
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(4-phenoxyphenyl)pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H13N3O2/c17-16(20)19-11-10-15(18-19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H2,17,20)
InChIKeyFTVGTSUFLFFSDY-UHFFFAOYSA-N
XLogP3.27
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-phenoxyphenyl)pyrazole-1-carboxamide (CID 11300443) is 3-(4-phenoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-phenoxyphenyl)pyrazole-1-carboxamide is NC(=O)n1ccc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 3-(4-phenoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is FTVGTSUFLFFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16(20)19-11-10-15(18-19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H2,17,20).
What are the key properties of 3-(4-phenoxyphenyl)pyrazole-1-carboxamide?
3-(4-phenoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 11300443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).