N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

C15H23N5O2 — CID 91948762

IUPACN-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC2CN3CCC2CC3)n(C)n1
InChIInChI=1S/C15H23N5O2/c1-10-7-13(19(2)18-10)15(22)16-8-14(21)17-12-9-20-5-3-11(12)4-6-20/h7,11-12H,3-6,8-9H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyRLERPNWCGVDOAC-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.33
Rot. Bonds4

About N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 91948762) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID91948762
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC2CN3CCC2CC3)n(C)n1
InChIInChI=1S/C15H23N5O2/c1-10-7-13(19(2)18-10)15(22)16-8-14(21)17-12-9-20-5-3-11(12)4-6-20/h7,11-12H,3-6,8-9H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyRLERPNWCGVDOAC-UHFFFAOYSA-N
XLogP-0.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465252
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465251
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 91948672
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
CID 60687389
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 91948639
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 91948762) is N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)NC2CN3CCC2CC3)n(C)n1.
What is the InChIKey of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is RLERPNWCGVDOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-7-13(19(2)18-10)15(22)16-8-14(21)17-12-9-20-5-3-11(12)4-6-20/h7,11-12H,3-6,8-9H2,1-2H3,(H,16,22)(H,17,21).
What are the key properties of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91948762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).