1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide

C19H30N4O — CID 166306826

IUPAC1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCC12CCCN1CCC2)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C19H30N4O/c24-18(16-14-21-23(15-16)17-6-2-1-3-7-17)20-11-10-19-8-4-12-22(19)13-5-9-19/h14-15,17H,1-13H2,(H,20,24)
InChIKeyQOLSZPCKSDTQII-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.14
Rot. Bonds5

About 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide

1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 166306826) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
PubChem CID166306826
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCC12CCCN1CCC2)c1cnn(C2CCCCC2)c1
InChIInChI=1S/C19H30N4O/c24-18(16-14-21-23(15-16)17-6-2-1-3-7-17)20-11-10-19-8-4-12-22(19)13-5-9-19/h14-15,17H,1-13H2,(H,20,24)
InChIKeyQOLSZPCKSDTQII-UHFFFAOYSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide (CID 166306826) is 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide is O=C(NCCC12CCCN1CCC2)c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is QOLSZPCKSDTQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-18(16-14-21-23(15-16)17-6-2-1-3-7-17)20-11-10-19-8-4-12-22(19)13-5-9-19/h14-15,17H,1-13H2,(H,20,24).
What are the key properties of 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide?
1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166306826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).