N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C18H23N3O4 — CID 70756202

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C18H23N3O4/c22-17(16-3-2-15(25-16)13-21-8-1-7-19-21)20-14-4-9-24-18(12-14)5-10-23-11-6-18/h1-3,7-8,14H,4-6,9-13H2,(H,20,22)
InChIKeyYAKGAHYFSIWALX-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.98
Rot. Bonds4

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 70756202) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID70756202
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C18H23N3O4/c22-17(16-3-2-15(25-16)13-21-8-1-7-19-21)20-14-4-9-24-18(12-14)5-10-23-11-6-18/h1-3,7-8,14H,4-6,9-13H2,(H,20,22)
InChIKeyYAKGAHYFSIWALX-UHFFFAOYSA-N
XLogP1.98
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 45148387
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(1-phenylcyclopentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95379084
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethyl-2-oxopyridine-4-carboxamide
CID 70780439
methyl (1S,2S,3R,4S)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124791672
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 166424607
2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 56861805

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 70756202) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(NC1CCOC2(CCOCC2)C1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is YAKGAHYFSIWALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-17(16-3-2-15(25-16)13-21-8-1-7-19-21)20-14-4-9-24-18(12-14)5-10-23-11-6-18/h1-3,7-8,14H,4-6,9-13H2,(H,20,22).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 70756202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).