5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide

C22H25N3O3 — CID 127984240

IUPAC5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C22H25N3O3/c26-21(24-16-8-11-27-22(13-16)9-4-1-5-10-22)17-14-23-25-20(17)19-12-15-6-2-3-7-18(15)28-19/h2-3,6-7,12,14,16H,1,4-5,8-11,13H2,(H,23,25)(H,24,26)
InChIKeyXXDWKTOVGXQGSP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.43
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide

5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 127984240) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID127984240
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C22H25N3O3/c26-21(24-16-8-11-27-22(13-16)9-4-1-5-10-22)17-14-23-25-20(17)19-12-15-6-2-3-7-18(15)28-19/h2-3,6-7,12,14,16H,1,4-5,8-11,13H2,(H,23,25)(H,24,26)
InChIKeyXXDWKTOVGXQGSP-UHFFFAOYSA-N
XLogP4.43
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99714773
5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide
CID 166286588
2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide
CID 126839258
3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide
CID 138994288
3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71847295
N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
CID 154766632
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166233138
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
CID 127600072

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide (CID 127984240) is 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)c1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is XXDWKTOVGXQGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(24-16-8-11-27-22(13-16)9-4-1-5-10-22)17-14-23-25-20(17)19-12-15-6-2-3-7-18(15)28-19/h2-3,6-7,12,14,16H,1,4-5,8-11,13H2,(H,23,25)(H,24,26).
What are the key properties of 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide?
5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 127984240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).