N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide

C19H17N5 — CID 155260269

IUPACN'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C/C(=C\N=C(/N)n1cc(-c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C19H17N5/c20-11-17(15-7-3-1-4-8-15)12-22-19(21)24-14-18(13-23-24)16-9-5-2-6-10-16/h1-14,20H,(H2,21,22)/b17-12+,20-11+
InChIKeyINWFZQCMKNQVDA-OZTBWLCUSA-N
MW315.38 g/mol
LogP3.40
Rot. Bonds4

About N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide

N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide (PubChem CID 155260269) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide
PubChem CID155260269
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C/C(=C\N=C(/N)n1cc(-c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C19H17N5/c20-11-17(15-7-3-1-4-8-15)12-22-19(21)24-14-18(13-23-24)16-9-5-2-6-10-16/h1-14,20H,(H2,21,22)/b17-12+,20-11+
InChIKeyINWFZQCMKNQVDA-OZTBWLCUSA-N
XLogP3.40
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide?
The IUPAC name of N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide (CID 155260269) is N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide.
What is the SMILES notation for N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide?
The canonical SMILES for N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide is [H]/N=C/C(=C\N=C(/N)n1cc(-c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide?
The InChIKey is INWFZQCMKNQVDA-OZTBWLCUSA-N. The full InChI is InChI=1S/C19H17N5/c20-11-17(15-7-3-1-4-8-15)12-22-19(21)24-14-18(13-23-24)16-9-5-2-6-10-16/h1-14,20H,(H2,21,22)/b17-12+,20-11+.
What are the key properties of N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide?
N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide has a molecular weight of 315.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-imino-2-phenylprop-1-enyl]-4-phenylpyrazole-1-carboximidamide is sourced from PubChem (CID 155260269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).