1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide

C12H18N4O2 — CID 146135514

IUPAC1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2CCC3(CNC3)O2)n1
InChIInChI=1S/C12H18N4O2/c1-16-5-3-10(15-16)11(17)14-6-9-2-4-12(18-9)7-13-8-12/h3,5,9,13H,2,4,6-8H2,1H3,(H,14,17)
InChIKeyMECPUPZQPVPORA-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.33
Rot. Bonds3

About 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide

1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide (PubChem CID 146135514) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide
PubChem CID146135514
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2CCC3(CNC3)O2)n1
InChIInChI=1S/C12H18N4O2/c1-16-5-3-10(15-16)11(17)14-6-9-2-4-12(18-9)7-13-8-12/h3,5,9,13H,2,4,6-8H2,1H3,(H,14,17)
InChIKeyMECPUPZQPVPORA-UHFFFAOYSA-N
XLogP-0.33
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 103117492
1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 103121074
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
CID 146126965
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 164637668
4-[(4-chloropyrazol-1-yl)methyl]-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 167743589
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide (CID 146135514) is 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2CCC3(CNC3)O2)n1.
What is the InChIKey of 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is MECPUPZQPVPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-5-3-10(15-16)11(17)14-6-9-2-4-12(18-9)7-13-8-12/h3,5,9,13H,2,4,6-8H2,1H3,(H,14,17).
What are the key properties of 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide?
1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 146135514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).