N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide

C23H24N4O — CID 5097725

IUPACN-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O/c28-23(25-24-19-13-7-1-2-8-14-19)21-17-27(20-15-9-4-10-16-20)26-22(21)18-11-5-3-6-12-18/h3-6,9-12,15-17H,1-2,7-8,13-14H2,(H,25,28)
InChIKeyTUYJDSGJJMYYJL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.98
Rot. Bonds4

About N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide

N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 5097725) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID5097725
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O/c28-23(25-24-19-13-7-1-2-8-14-19)21-17-27(20-15-9-4-10-16-20)26-22(21)18-11-5-3-6-12-18/h3-6,9-12,15-17H,1-2,7-8,13-14H2,(H,25,28)
InChIKeyTUYJDSGJJMYYJL-UHFFFAOYSA-N
XLogP4.98
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.98
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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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide (CID 5097725) is N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide is O=C(NN=C1CCCCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is TUYJDSGJJMYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(25-24-19-13-7-1-2-8-14-19)21-17-27(20-15-9-4-10-16-20)26-22(21)18-11-5-3-6-12-18/h3-6,9-12,15-17H,1-2,7-8,13-14H2,(H,25,28).
What are the key properties of N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide?
N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 5097725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).