3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide

C16H26N4O — CID 19557611

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C16H26N4O/c1-11-8-12(2)20(18-11)7-6-16(21)17-13-9-14-4-5-15(10-13)19(14)3/h8,13-15H,4-7,9-10H2,1-3H3,(H,17,21)
InChIKeyKKASKXJFTSCJFT-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.63
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 19557611) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID19557611
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C16H26N4O/c1-11-8-12(2)20(18-11)7-6-16(21)17-13-9-14-4-5-15(10-13)19(14)3/h8,13-15H,4-7,9-10H2,1-3H3,(H,17,21)
InChIKeyKKASKXJFTSCJFT-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 86772651
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
N-[8-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610410
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 155504452
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470773
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 19557611) is 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide is Cc1cc(C)n(CCC(=O)NC2CC3CCC(C2)N3C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is KKASKXJFTSCJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-8-12(2)20(18-11)7-6-16(21)17-13-9-14-4-5-15(10-13)19(14)3/h8,13-15H,4-7,9-10H2,1-3H3,(H,17,21).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 19557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).