5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C19H30N4O — CID 138035250

IUPAC5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NCC23CCCN2CCC3)c1C1CC1
InChIInChI=1S/C19H30N4O/c1-14(2)12-23-17(15-5-6-15)16(11-21-23)18(24)20-13-19-7-3-9-22(19)10-4-8-19/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,24)
InChIKeyUKZOFCUQBNHRIX-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.77
Rot. Bonds6

About 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 138035250) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID138035250
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NCC23CCCN2CCC3)c1C1CC1
InChIInChI=1S/C19H30N4O/c1-14(2)12-23-17(15-5-6-15)16(11-21-23)18(24)20-13-19-7-3-9-22(19)10-4-8-19/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,24)
InChIKeyUKZOFCUQBNHRIX-UHFFFAOYSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 138035250) is 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1ncc(C(=O)NCC23CCCN2CCC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is UKZOFCUQBNHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14(2)12-23-17(15-5-6-15)16(11-21-23)18(24)20-13-19-7-3-9-22(19)10-4-8-19/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 138035250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).