N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide

C18H30N4O — CID 128697367

IUPACN-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide
SMILESCC(NC(=O)N1CCCC2(CCCCC2)CC1)c1ccn(C)n1
InChIInChI=1S/C18H30N4O/c1-15(16-7-13-21(2)20-16)19-17(23)22-12-6-10-18(11-14-22)8-4-3-5-9-18/h7,13,15H,3-6,8-12,14H2,1-2H3,(H,19,23)
InChIKeyGMBNQCNRUCGXAW-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.63
Rot. Bonds2

About N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide

N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide (PubChem CID 128697367) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide
PubChem CID128697367
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide
SMILESCC(NC(=O)N1CCCC2(CCCCC2)CC1)c1ccn(C)n1
InChIInChI=1S/C18H30N4O/c1-15(16-7-13-21(2)20-16)19-17(23)22-12-6-10-18(11-14-22)8-4-3-5-9-18/h7,13,15H,3-6,8-12,14H2,1-2H3,(H,19,23)
InChIKeyGMBNQCNRUCGXAW-UHFFFAOYSA-N
XLogP3.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-2-azaspiro[4.6]undecane-2-carboxamide
CID 126427038
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 103131090
(6S)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
CID 96548969
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
CID 63162376
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide (CID 128697367) is N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide is CC(NC(=O)N1CCCC2(CCCCC2)CC1)c1ccn(C)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide?
The InChIKey is GMBNQCNRUCGXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15(16-7-13-21(2)20-16)19-17(23)22-12-6-10-18(11-14-22)8-4-3-5-9-18/h7,13,15H,3-6,8-12,14H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide?
N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)ethyl]-9-azaspiro[5.6]dodecane-9-carboxamide is sourced from PubChem (CID 128697367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).