1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea

C11H18N4O3S — CID 164633786

IUPAC1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H18N4O3S/c1-8(2)15-5-3-10(14-15)13-11(16)12-9-4-6-19(17,18)7-9/h3,5,8-9H,4,6-7H2,1-2H3,(H2,12,13,14,16)/t9-/m0/s1
InChIKeyCEUGTCMHYCNOAA-VIFPVBQESA-N
MW286.36 g/mol
LogP0.77
Rot. Bonds3

About 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea

1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea (PubChem CID 164633786) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea
PubChem CID164633786
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H18N4O3S/c1-8(2)15-5-3-10(14-15)13-11(16)12-9-4-6-19(17,18)7-9/h3,5,8-9H,4,6-7H2,1-2H3,(H2,12,13,14,16)/t9-/m0/s1
InChIKeyCEUGTCMHYCNOAA-VIFPVBQESA-N
XLogP0.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Propan-2-YL)-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017230
1-(1-Tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
CID 56795482
N-(2-propan-2-ylpyrazol-3-yl)-1,4-thiazepane-4-carboxamide
CID 71940471
2-({[(1-cyclohexyl-1H-pyrazol-5-yl)amino]carbonyl}amino)-N,N-dimethylethanesulfonamide
CID 72845724
1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-propylpyrazol-3-yl)urea
CID 95975295
1-(2-Tert-butylpyrazol-3-yl)-3-(8,8-dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)urea
CID 138025003
N-{1-[2-(ethanesulfonyl)ethyl]-1H-pyrazol-3-yl}-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044971
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-(3-ethylsulfinylcyclohexyl)urea
CID 71976462
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]urea
CID 96483443
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S,3S)-3-[(R)-ethylsulfinyl]cyclohexyl]urea
CID 96483445
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]urea
CID 99848479
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1R,3S)-3-[(S)-ethylsulfinyl]cyclohexyl]urea
CID 99848481

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea (CID 164633786) is 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea is CC(C)n1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is CEUGTCMHYCNOAA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8(2)15-5-3-10(14-15)13-11(16)12-9-4-6-19(17,18)7-9/h3,5,8-9H,4,6-7H2,1-2H3,(H2,12,13,14,16)/t9-/m0/s1.
What are the key properties of 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea?
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 286.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 164633786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).