N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide

C14H22N4O2 — CID 63770649

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C14H22N4O2/c1-8-14(9(2)17-16-8)15-13(20)7-18-10-3-4-11(18)6-12(19)5-10/h10-12,19H,3-7H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyGFOFWPVOXIAJOQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.95
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide (PubChem CID 63770649) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
PubChem CID63770649
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C14H22N4O2/c1-8-14(9(2)17-16-8)15-13(20)7-18-10-3-4-11(18)6-12(19)5-10/h10-12,19H,3-7H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyGFOFWPVOXIAJOQ-UHFFFAOYSA-N
XLogP0.95
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide
CID 55100215
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79612221
2-cyclobutyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 103706885
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 71988957
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 62063232
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683852
8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764411
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-phenylacetamide
CID 55237220
2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 96549122
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 102683128
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thian-4-yl)acetamide
CID 80709462

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide (CID 63770649) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN1C2CCC1CC(O)C2.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The InChIKey is GFOFWPVOXIAJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-14(9(2)17-16-8)15-13(20)7-18-10-3-4-11(18)6-12(19)5-10/h10-12,19H,3-7H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide is sourced from PubChem (CID 63770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).