N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide

C24H26N4O — CID 51061602

IUPACN-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C2CCCCC2)c1
InChIInChI=1S/C24H26N4O/c1-18-9-8-12-20(15-18)23-21(17-28(27-23)22-13-6-3-7-14-22)16-25-26-24(29)19-10-4-2-5-11-19/h3,6-9,12-17,19H,2,4-5,10-11H2,1H3,(H,26,29)/b25-16+
InChIKeyQPFQWOCVPVIGBS-PCLIKHOPSA-N
MW386.50 g/mol
LogP4.88
Rot. Bonds5

About N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide

N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide (PubChem CID 51061602) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
PubChem CID51061602
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C2CCCCC2)c1
InChIInChI=1S/C24H26N4O/c1-18-9-8-12-20(15-18)23-21(17-28(27-23)22-13-6-3-7-14-22)16-25-26-24(29)19-10-4-2-5-11-19/h3,6-9,12-17,19H,2,4-5,10-11H2,1H3,(H,26,29)/b25-16+
InChIKeyQPFQWOCVPVIGBS-PCLIKHOPSA-N
XLogP4.88
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
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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Related Compounds

N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 40646787
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
CID 6175980
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide
CID 124632202
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
5-bromo-N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 6267958
3-chloro-N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 6272285
(E)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 156700548
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352555
5-bromo-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 4641327
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6175507
N'-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 3519058
4-[(4-chlorophenyl)methoxy]-N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 51061156

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide (CID 51061602) is N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide is Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
The InChIKey is QPFQWOCVPVIGBS-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-9-8-12-20(15-18)23-21(17-28(27-23)22-13-6-3-7-14-22)16-25-26-24(29)19-10-4-2-5-11-19/h3,6-9,12-17,19H,2,4-5,10-11H2,1H3,(H,26,29)/b25-16+.
What are the key properties of N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide?
N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 51061602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).