2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide

C19H26N4O2S — CID 124812732

About 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide

2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 124812732) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
• PubChem CID: 124812732
• Molecular Formula: C19H26N4O2S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.18
• IUPAC Name: 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
• SMILES: Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C
• InChI: InChI=1S/C19H26N4O2S/c1-14-6-10-26-17(14)11-23-12-19(13-23)15(5-9-25-19)3-7-20-18(24)16-4-8-21-22(16)2/h4,6,8,10,15H,3,5,7,9,11-13H2,1-2H3,(H,20,24)/t15-/m0/s1
• InChIKey: XCAGYPPXTZQIJT-HNNXBMFYSA-N
• XLogP: 2.20
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?

The IUPAC name of 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide (CID 124812732) is 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?

The canonical SMILES for 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide is Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C.

What is the InChIKey of 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?

The InChIKey is XCAGYPPXTZQIJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-6-10-26-17(14)11-23-12-19(13-23)15(5-9-25-19)3-7-20-18(24)16-4-8-21-22(16)2/h4,6,8,10,15H,3,5,7,9,11-13H2,1-2H3,(H,20,24)/t15-/m0/s1.

What are the key properties of 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide?

2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 124812732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).