4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H20N4O3S — CID 62076224

IUPAC4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C12H20N4O3S/c1-7(2)10-9(13)11(15-14-10)12(17)16(3)8-4-5-20(18,19)6-8/h7-8H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyOVYTYTDPJMYGQJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.37
Rot. Bonds3

About 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076224) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076224
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C12H20N4O3S/c1-7(2)10-9(13)11(15-14-10)12(17)16(3)8-4-5-20(18,19)6-8/h7-8H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyOVYTYTDPJMYGQJ-UHFFFAOYSA-N
XLogP0.37
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

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4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
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1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
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N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
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4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
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N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
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1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 25482733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076224) is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is OVYTYTDPJMYGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-7(2)10-9(13)11(15-14-10)12(17)16(3)8-4-5-20(18,19)6-8/h7-8H,4-6,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).