1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C15H18F2N4OS — CID 99606047

IUPAC1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCSc1c(F)cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1F
InChIInChI=1S/C15H18F2N4OS/c1-8(4-11-5-9(2)20-21-11)18-15(22)19-10-6-12(16)14(23-3)13(17)7-10/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,22)/t8-/m1/s1
InChIKeyYIAHNEDAUGNJJV-MRVPVSSYSA-N
MW340.40 g/mol
LogP3.47
Rot. Bonds5

About 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99606047) has the molecular formula C15H18F2N4OS and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID99606047
Molecular FormulaC15H18F2N4OS
Molecular Weight340.40 g/mol
Exact Mass340.12
IUPAC Name1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCSc1c(F)cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1F
InChIInChI=1S/C15H18F2N4OS/c1-8(4-11-5-9(2)20-21-11)18-15(22)19-10-6-12(16)14(23-3)13(17)7-10/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,22)/t8-/m1/s1
InChIKeyYIAHNEDAUGNJJV-MRVPVSSYSA-N
XLogP3.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-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

1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 99583562
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
1-(4,6-dimethyl-2-pyridinyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99624390
N,N,2-trimethyl-5-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]benzamide
CID 99715690
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86799814
1-(2-cyano-4-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99715677
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99606047) is 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is CSc1c(F)cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is YIAHNEDAUGNJJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H18F2N4OS/c1-8(4-11-5-9(2)20-21-11)18-15(22)19-10-6-12(16)14(23-3)13(17)7-10/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,22)/t8-/m1/s1.
What are the key properties of 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 340.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99606047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).