4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine

C17H16N4O — CID 23647181

IUPAC4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine
SMILESCO/N=C(/c1ccccc1)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C17H16N4O/c1-22-20-16(13-8-4-2-5-9-13)15-12-19-21(17(15)18)14-10-6-3-7-11-14/h2-12H,18H2,1H3/b20-16-
InChIKeyNQLYVDJYPPFYEQ-SILNSSARSA-N
MW292.34 g/mol
LogP2.85
Rot. Bonds4

About 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine

4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine (PubChem CID 23647181) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine
PubChem CID23647181
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine
SMILESCO/N=C(/c1ccccc1)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C17H16N4O/c1-22-20-16(13-8-4-2-5-9-13)15-12-19-21(17(15)18)14-10-6-3-7-11-14/h2-12H,18H2,1H3/b20-16-
InChIKeyNQLYVDJYPPFYEQ-SILNSSARSA-N
XLogP2.85
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine (CID 23647181) is 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine is CO/N=C(/c1ccccc1)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine?
The InChIKey is NQLYVDJYPPFYEQ-SILNSSARSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-20-16(13-8-4-2-5-9-13)15-12-19-21(17(15)18)14-10-6-3-7-11-14/h2-12H,18H2,1H3/b20-16-.
What are the key properties of 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine?
4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine has a molecular weight of 292.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1-phenylpyrazol-5-amine is sourced from PubChem (CID 23647181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).