N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H15FN4O — CID 3975451

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1n[nH]c2c1CCC2)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c1-9(10-5-7-11(16)8-6-10)17-20-15(21)14-12-3-2-4-13(12)18-19-14/h5-8H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyBZONGJDBHRSQAT-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 3975451) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID3975451
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1n[nH]c2c1CCC2)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c1-9(10-5-7-11(16)8-6-10)17-20-15(21)14-12-3-2-4-13(12)18-19-14/h5-8H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyBZONGJDBHRSQAT-UHFFFAOYSA-N
XLogP2.19
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.19
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-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 3975451) is N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CC(=NNC(=O)c1n[nH]c2c1CCC2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is BZONGJDBHRSQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9(10-5-7-11(16)8-6-10)17-20-15(21)14-12-3-2-4-13(12)18-19-14/h5-8H,2-4H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 3975451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).