2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

C16H23N3O3S — CID 71847483

IUPAC2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESO=C(c1ccnn1C1CCCC1)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O3S/c20-16(15-7-9-17-19(15)13-3-1-2-4-13)18(12-5-6-12)14-8-10-23(21,22)11-14/h7,9,12-14H,1-6,8,10-11H2
InChIKeyNCRWINVAOSZAFS-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.79
Rot. Bonds4

About 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (PubChem CID 71847483) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
PubChem CID71847483
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESO=C(c1ccnn1C1CCCC1)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O3S/c20-16(15-7-9-17-19(15)13-3-1-2-4-13)18(12-5-6-12)14-8-10-23(21,22)11-14/h7,9,12-14H,1-6,8,10-11H2
InChIKeyNCRWINVAOSZAFS-UHFFFAOYSA-N
XLogP1.79
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-iodobenzamide
CID 55452976
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
5-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]furan-3-carboxylic acid
CID 129467089
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 134700952
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (CID 71847483) is 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is O=C(c1ccnn1C1CCCC1)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The InChIKey is NCRWINVAOSZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(15-7-9-17-19(15)13-3-1-2-4-13)18(12-5-6-12)14-8-10-23(21,22)11-14/h7,9,12-14H,1-6,8,10-11H2.
What are the key properties of 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 71847483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).