N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide

C18H30N4O — CID 138035248

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C(=O)NCC23CCCN2CCC3)cc1C
InChIInChI=1S/C18H30N4O/c1-4-15(5-2)22-14(3)12-16(20-22)17(23)19-13-18-8-6-10-21(18)11-7-9-18/h12,15H,4-11,13H2,1-3H3,(H,19,23)
InChIKeyIPOIHDBHDXPGMS-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.91
Rot. Bonds6

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 138035248) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide
PubChem CID138035248
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C(=O)NCC23CCCN2CCC3)cc1C
InChIInChI=1S/C18H30N4O/c1-4-15(5-2)22-14(3)12-16(20-22)17(23)19-13-18-8-6-10-21(18)11-7-9-18/h12,15H,4-11,13H2,1-3H3,(H,19,23)
InChIKeyIPOIHDBHDXPGMS-UHFFFAOYSA-N
XLogP2.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

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US10022354, Example 233
CID 121279654
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CID 126736699
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
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1,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 53501184
1-tert-butyl-5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
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1-tert-butyl-5-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
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1-tert-butyl-5-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 53502676
N-{2-[ethyl(methyl)amino]butyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70730086
N,N-diethyl-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinamine
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[1-Methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide (CID 138035248) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C(=O)NCC23CCCN2CCC3)cc1C.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is IPOIHDBHDXPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-15(5-2)22-14(3)12-16(20-22)17(23)19-13-18-8-6-10-21(18)11-7-9-18/h12,15H,4-11,13H2,1-3H3,(H,19,23).
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-5-methyl-1-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 138035248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).