5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide

C17H15N5O2 — CID 163894427

IUPAC5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
SMILESNC(=O)c1c(C(=O)Nc2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H15N5O2/c18-15-13(16(19)23)14(17(24)20-11-7-3-1-4-8-11)21-22(15)12-9-5-2-6-10-12/h1-10H,18H2,(H2,19,23)(H,20,24)
InChIKeyQEJISJWQBGLVOC-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.81
Rot. Bonds4

About 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide

5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide (PubChem CID 163894427) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
PubChem CID163894427
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
SMILESNC(=O)c1c(C(=O)Nc2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H15N5O2/c18-15-13(16(19)23)14(17(24)20-11-7-3-1-4-8-11)21-22(15)12-9-5-2-6-10-12/h1-10H,18H2,(H2,19,23)(H,20,24)
InChIKeyQEJISJWQBGLVOC-UHFFFAOYSA-N
XLogP1.81
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide?
The IUPAC name of 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide (CID 163894427) is 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide?
The canonical SMILES for 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide is NC(=O)c1c(C(=O)Nc2ccccc2)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide?
The InChIKey is QEJISJWQBGLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-15-13(16(19)23)14(17(24)20-11-7-3-1-4-8-11)21-22(15)12-9-5-2-6-10-12/h1-10H,18H2,(H2,19,23)(H,20,24).
What are the key properties of 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide?
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide is sourced from PubChem (CID 163894427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).