N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide

C15H21N3O3S — CID 167907569

IUPACN-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide
SMILESO=C(Nc1cnn(C2CCCC2)c1)C1CS(=O)(=O)CC12CC2
InChIInChI=1S/C15H21N3O3S/c19-14(13-9-22(20,21)10-15(13)5-6-15)17-11-7-16-18(8-11)12-3-1-2-4-12/h7-8,12-13H,1-6,9-10H2,(H,17,19)
InChIKeyCPMMGIQIQXXEEF-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.76
Rot. Bonds3

About N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide

N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide (PubChem CID 167907569) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide
PubChem CID167907569
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide
SMILESO=C(Nc1cnn(C2CCCC2)c1)C1CS(=O)(=O)CC12CC2
InChIInChI=1S/C15H21N3O3S/c19-14(13-9-22(20,21)10-15(13)5-6-15)17-11-7-16-18(8-11)12-3-1-2-4-12/h7-8,12-13H,1-6,9-10H2,(H,17,19)
InChIKeyCPMMGIQIQXXEEF-UHFFFAOYSA-N
XLogP1.76
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138010977
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
1-(4-bromothiophen-3-yl)-3-(1-cyclobutylpyrazol-4-yl)urea
CID 138054455
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
CID 136567360
N-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 146076551
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide?
The IUPAC name of N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide (CID 167907569) is N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide?
The canonical SMILES for N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide is O=C(Nc1cnn(C2CCCC2)c1)C1CS(=O)(=O)CC12CC2.
What is the InChIKey of N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide?
The InChIKey is CPMMGIQIQXXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-14(13-9-22(20,21)10-15(13)5-6-15)17-11-7-16-18(8-11)12-3-1-2-4-12/h7-8,12-13H,1-6,9-10H2,(H,17,19).
What are the key properties of N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide?
N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpyrazol-4-yl)-5,5-dioxo-5λ6-thiaspiro[2.4]heptane-7-carboxamide is sourced from PubChem (CID 167907569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).