[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea

C17H15N5O — CID 6895242

IUPAC[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H15N5O/c18-17(23)20-19-11-14-12-22(15-9-5-2-6-10-15)21-16(14)13-7-3-1-4-8-13/h1-12H,(H3,18,20,23)/b19-11+
InChIKeyGANUFCGHYJZVLE-YBFXNURJSA-N
MW305.34 g/mol
LogP2.54
Rot. Bonds4

About [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea

[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea (PubChem CID 6895242) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea
PubChem CID6895242
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H15N5O/c18-17(23)20-19-11-14-12-22(15-9-5-2-6-10-15)21-16(14)13-7-3-1-4-8-13/h1-12H,(H3,18,20,23)/b19-11+
InChIKeyGANUFCGHYJZVLE-YBFXNURJSA-N
XLogP2.54
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea?
The IUPAC name of [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea (CID 6895242) is [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea is NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea?
The InChIKey is GANUFCGHYJZVLE-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17(23)20-19-11-14-12-22(15-9-5-2-6-10-15)21-16(14)13-7-3-1-4-8-13/h1-12H,(H3,18,20,23)/b19-11+.
What are the key properties of [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea?
[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea has a molecular weight of 305.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea is sourced from PubChem (CID 6895242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).