2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide

C20H30N4O2 — CID 167793103

IUPAC2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NC1CCCC12CN(C(=O)c1cn[nH]c1)C2
InChIInChI=1S/C20H30N4O2/c1-19(2)8-4-3-6-15(19)17(25)23-16-7-5-9-20(16)12-24(13-20)18(26)14-10-21-22-11-14/h10-11,15-16H,3-9,12-13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyOGTNYIUSJRYXFB-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.74
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide

2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide (PubChem CID 167793103) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide
PubChem CID167793103
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NC1CCCC12CN(C(=O)c1cn[nH]c1)C2
InChIInChI=1S/C20H30N4O2/c1-19(2)8-4-3-6-15(19)17(25)23-16-7-5-9-20(16)12-24(13-20)18(26)14-10-21-22-11-14/h10-11,15-16H,3-9,12-13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyOGTNYIUSJRYXFB-UHFFFAOYSA-N
XLogP2.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide (CID 167793103) is 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NC1CCCC12CN(C(=O)c1cn[nH]c1)C2.
What is the InChIKey of 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide?
The InChIKey is OGTNYIUSJRYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-19(2)8-4-3-6-15(19)17(25)23-16-7-5-9-20(16)12-24(13-20)18(26)14-10-21-22-11-14/h10-11,15-16H,3-9,12-13H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide?
2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1H-pyrazole-4-carbonyl)-2-azaspiro[3.4]octan-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167793103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).