N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide

C17H24N4O3 — CID 131688778

IUPACN-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC3(CCN(C(=O)C4CC(O)C4)C3)C2)cn1
InChIInChI=1S/C17H24N4O3/c1-20-9-12(8-18-20)15(23)19-13-6-17(7-13)2-3-21(10-17)16(24)11-4-14(22)5-11/h8-9,11,13-14,22H,2-7,10H2,1H3,(H,19,23)
InChIKeyPIJQGWMJZIXPCJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.30
Rot. Bonds3

About N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide

N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 131688778) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID131688778
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC3(CCN(C(=O)C4CC(O)C4)C3)C2)cn1
InChIInChI=1S/C17H24N4O3/c1-20-9-12(8-18-20)15(23)19-13-6-17(7-13)2-3-21(10-17)16(24)11-4-14(22)5-11/h8-9,11,13-14,22H,2-7,10H2,1H3,(H,19,23)
InChIKeyPIJQGWMJZIXPCJ-UHFFFAOYSA-N
XLogP0.30
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 131686198
1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 98895536
N-[6-(4-methylcyclohexanecarbonyl)-6-azaspiro[3.4]octan-2-yl]pyridine-4-carboxamide
CID 131685942
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
CID 114309173
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993873
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
CID 131644225
5-hydroxy-N-[(3S,6R)-1-methyl-6-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)azepan-3-yl]pyridine-3-carboxamide
CID 176500603
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131685924

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide (CID 131688778) is N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC3(CCN(C(=O)C4CC(O)C4)C3)C2)cn1.
What is the InChIKey of N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is PIJQGWMJZIXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-9-12(8-18-20)15(23)19-13-6-17(7-13)2-3-21(10-17)16(24)11-4-14(22)5-11/h8-9,11,13-14,22H,2-7,10H2,1H3,(H,19,23).
What are the key properties of N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide?
N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 131688778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).