N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide

C24H33N3O2 — CID 74791682

IUPACN-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide
SMILESO=C(C1NNC2CCCC21)N(Cc1ccc(OCC2CC=CCC2)cc1)C1CC1
InChIInChI=1S/C24H33N3O2/c28-24(23-21-7-4-8-22(21)25-26-23)27(19-11-12-19)15-17-9-13-20(14-10-17)29-16-18-5-2-1-3-6-18/h1-2,9-10,13-14,18-19,21-23,25-26H,3-8,11-12,15-16H2
InChIKeyOINNJWKTXASIMX-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.56
Rot. Bonds7

About N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide

N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide (PubChem CID 74791682) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide
PubChem CID74791682
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide
SMILESO=C(C1NNC2CCCC21)N(Cc1ccc(OCC2CC=CCC2)cc1)C1CC1
InChIInChI=1S/C24H33N3O2/c28-24(23-21-7-4-8-22(21)25-26-23)27(19-11-12-19)15-17-9-13-20(14-10-17)29-16-18-5-2-1-3-6-18/h1-2,9-10,13-14,18-19,21-23,25-26H,3-8,11-12,15-16H2
InChIKeyOINNJWKTXASIMX-UHFFFAOYSA-N
XLogP3.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide (CID 74791682) is N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide is O=C(C1NNC2CCCC21)N(Cc1ccc(OCC2CC=CCC2)cc1)C1CC1.
What is the InChIKey of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide?
The InChIKey is OINNJWKTXASIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-24(23-21-7-4-8-22(21)25-26-23)27(19-11-12-19)15-17-9-13-20(14-10-17)29-16-18-5-2-1-3-6-18/h1-2,9-10,13-14,18-19,21-23,25-26H,3-8,11-12,15-16H2.
What are the key properties of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide?
N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 74791682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).