4-methoxy-N,1-diphenylpyrazole-3-carboxamide

C17H15N3O2 — CID 7992430

IUPAC4-methoxy-N,1-diphenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O2/c1-22-15-12-20(14-10-6-3-7-11-14)19-16(15)17(21)18-13-8-4-2-5-9-13/h2-12H,1H3,(H,18,21)
InChIKeyTXEHAOFNNHRGSH-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.13
Rot. Bonds4

About 4-methoxy-N,1-diphenylpyrazole-3-carboxamide

4-methoxy-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 7992430) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-methoxy-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N,1-diphenylpyrazole-3-carboxamide
PubChem CID7992430
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-methoxy-N,1-diphenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O2/c1-22-15-12-20(14-10-6-3-7-11-14)19-16(15)17(21)18-13-8-4-2-5-9-13/h2-12H,1H3,(H,18,21)
InChIKeyTXEHAOFNNHRGSH-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N,1-diphenylpyrazole-3-carboxamide (CID 7992430) is 4-methoxy-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N,1-diphenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methoxy-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is TXEHAOFNNHRGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-12-20(14-10-6-3-7-11-14)19-16(15)17(21)18-13-8-4-2-5-9-13/h2-12H,1H3,(H,18,21).
What are the key properties of 4-methoxy-N,1-diphenylpyrazole-3-carboxamide?
4-methoxy-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 7992430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).