N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide

C16H26N4O — CID 66121022

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CC3CCC(C2)N3)n(CC)n1
InChIInChI=1S/C16H26N4O/c1-4-11-10-15(20(5-2)18-11)16(21)19(3)14-8-12-6-7-13(9-14)17-12/h10,12-14,17H,4-9H2,1-3H3
InChIKeyGYKDYNJRYACXGN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide (PubChem CID 66121022) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
PubChem CID66121022
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CC3CCC(C2)N3)n(CC)n1
InChIInChI=1S/C16H26N4O/c1-4-11-10-15(20(5-2)18-11)16(21)19(3)14-8-12-6-7-13(9-14)17-12/h10,12-14,17H,4-9H2,1-3H3
InChIKeyGYKDYNJRYACXGN-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121929
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
CID 66121181
N-(3-aminopropyl)-N-cyclopropyl-1,3-diethylpyrazole-5-carboxamide
CID 66121370
3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
CID 79120552
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 104974422
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
CID 66121962
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940
N-cycloheptyl-1-ethyl-N-methyl-3-(phenoxymethyl)pyrazole-5-carboxamide
CID 72703408
1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide (CID 66121022) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)C2CC3CCC(C2)N3)n(CC)n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The InChIKey is GYKDYNJRYACXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-11-10-15(20(5-2)18-11)16(21)19(3)14-8-12-6-7-13(9-14)17-12/h10,12-14,17H,4-9H2,1-3H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).