N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide

C10H15N3O3S — CID 35295132

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C10H15N3O3S/c1-2-13-6-8(5-11-13)10(14)12-9-3-4-17(15,16)7-9/h5-6,9H,2-4,7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyHARLDFXCMUTYFS-VIFPVBQESA-N
MW257.31 g/mol
LogP-0.18
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide (PubChem CID 35295132) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide
PubChem CID35295132
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C10H15N3O3S/c1-2-13-6-8(5-11-13)10(14)12-9-3-4-17(15,16)7-9/h5-6,9H,2-4,7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyHARLDFXCMUTYFS-VIFPVBQESA-N
XLogP-0.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 2765014
3-(1,1-Dioxothiolan-3-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45800245
1-[3-(ethanesulfonyl)propyl]-1H-pyrazole-4-carbaldehyde
CID 65096817
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-methyl-1H-pyrazole-4-carboxamide
CID 91911022
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-ethyl-1H-pyrazole-4-carboxamide
CID 91923218
1-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-1H-pyrazole-4-carboxamide
CID 70760368
(4aS*,7aR*)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70782703
3-(2-methylpropylsulfonyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 71875501
1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
CID 71974775
1-ethyl-N-[2-(ethylsulfonyl)ethyl]-1H-pyrazole-4-carboxamide
CID 74243028
N-[(2S)-butan-2-yl]sulfonyl-1-methylpyrazole-4-carboxamide
CID 97822302
1-(2-methylpropyl)-N-(2-sulfamoylethyl)pyrazole-4-carboxamide
CID 132378270

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide (CID 35295132) is N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is HARLDFXCMUTYFS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-13-6-8(5-11-13)10(14)12-9-3-4-17(15,16)7-9/h5-6,9H,2-4,7H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 35295132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).