N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C16H16N4O — CID 6871483

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCC2
InChIInChI=1S/C16H16N4O/c21-16(15-13-9-4-10-14(13)18-19-15)20-17-11-5-8-12-6-2-1-3-7-12/h1-3,5-8,11H,4,9-10H2,(H,18,19)(H,20,21)/b8-5+,17-11+
InChIKeyHCGOUBRDLPJVCP-NSYQEJESSA-N
MW280.33 g/mol
LogP2.33
Rot. Bonds4

About N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 6871483) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID6871483
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCC2
InChIInChI=1S/C16H16N4O/c21-16(15-13-9-4-10-14(13)18-19-15)20-17-11-5-8-12-6-2-1-3-7-12/h1-3,5-8,11H,4,9-10H2,(H,18,19)(H,20,21)/b8-5+,17-11+
InChIKeyHCGOUBRDLPJVCP-NSYQEJESSA-N
XLogP2.33
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 6871483) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HCGOUBRDLPJVCP-NSYQEJESSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(15-13-9-4-10-14(13)18-19-15)20-17-11-5-8-12-6-2-1-3-7-12/h1-3,5-8,11H,4,9-10H2,(H,18,19)(H,20,21)/b8-5+,17-11+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 6871483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).