N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide

C16H26N4O — CID 71992760

IUPACN-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
SMILESCn1cc(NC(=O)N2CCCC3(CCCCCC3)C2)cn1
InChIInChI=1S/C16H26N4O/c1-19-12-14(11-17-19)18-15(21)20-10-6-9-16(13-20)7-4-2-3-5-8-16/h11-12H,2-10,13H2,1H3,(H,18,21)
InChIKeyDKXXXGQWSKKKAE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.39
Rot. Bonds1

About N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide

N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide (PubChem CID 71992760) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
PubChem CID71992760
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
SMILESCn1cc(NC(=O)N2CCCC3(CCCCCC3)C2)cn1
InChIInChI=1S/C16H26N4O/c1-19-12-14(11-17-19)18-15(21)20-10-6-9-16(13-20)7-4-2-3-5-8-16/h11-12H,2-10,13H2,1H3,(H,18,21)
InChIKeyDKXXXGQWSKKKAE-UHFFFAOYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 127865471
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43535047
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051
N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71708810

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide (CID 71992760) is N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide is Cn1cc(NC(=O)N2CCCC3(CCCCCC3)C2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide?
The InChIKey is DKXXXGQWSKKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-12-14(11-17-19)18-15(21)20-10-6-9-16(13-20)7-4-2-3-5-8-16/h11-12H,2-10,13H2,1H3,(H,18,21).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide?
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 71992760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).