1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

C12H20N4O3S — CID 95133447

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N4O3S/c1-9-10(7-14-16-9)3-2-5-13-12(17)15-11-4-6-20(18,19)8-11/h7,11H,2-6,8H2,1H3,(H,14,16)(H2,13,15,17)/t11-/m1/s1
InChIKeyYHNAOMWZOIUVDQ-LLVKDONJSA-N
MW300.38 g/mol
LogP0.14
Rot. Bonds5

About 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (PubChem CID 95133447) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
PubChem CID95133447
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N4O3S/c1-9-10(7-14-16-9)3-2-5-13-12(17)15-11-4-6-20(18,19)8-11/h7,11H,2-6,8H2,1H3,(H,14,16)(H2,13,15,17)/t11-/m1/s1
InChIKeyYHNAOMWZOIUVDQ-LLVKDONJSA-N
XLogP0.14
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]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

1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 114084882
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 71870678
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
1-(1,1-dioxothiolan-3-yl)-3-(3-phenylmethoxypropyl)urea
CID 51081517
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-phenoxybutyl)urea
CID 94026963
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 62039009

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (CID 95133447) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The InChIKey is YHNAOMWZOIUVDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-10(7-14-16-9)3-2-5-13-12(17)15-11-4-6-20(18,19)8-11/h7,11H,2-6,8H2,1H3,(H,14,16)(H2,13,15,17)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea has a molecular weight of 300.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is sourced from PubChem (CID 95133447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).