3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea

C18H23FN4OS — CID 118779314

IUPAC3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)N(C)C1CCSCC1
InChIInChI=1S/C18H23FN4OS/c1-13-11-20-23(12-14-4-3-5-15(19)10-14)17(13)21-18(24)22(2)16-6-8-25-9-7-16/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyUZTFEFFRNHXJJZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.74
Rot. Bonds4

About 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea

3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea (PubChem CID 118779314) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea
PubChem CID118779314
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC Name3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)N(C)C1CCSCC1
InChIInChI=1S/C18H23FN4OS/c1-13-11-20-23(12-14-4-3-5-15(19)10-14)17(13)21-18(24)22(2)16-6-8-25-9-7-16/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyUZTFEFFRNHXJJZ-UHFFFAOYSA-N
XLogP3.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-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

N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817749
N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24817764
N-(1-{1-[(methylthio)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24791135
N-(1-{1-[1-methyl-2-(methylthio)ethyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24791284
N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791423
N-(1-{1-[(methylthio)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790119
N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24817299
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide
CID 51130293
1-[1-[(2,5-Difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-ethylurea
CID 53560237
1-Cyclopropyl-3-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]urea
CID 53565000
1-[2-[(4-Fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 71978948
N-{1-[1-(3,5-difluorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25282774

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea (CID 118779314) is 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea is Cc1cnn(Cc2cccc(F)c2)c1NC(=O)N(C)C1CCSCC1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea?
The InChIKey is UZTFEFFRNHXJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-13-11-20-23(12-14-4-3-5-15(19)10-14)17(13)21-18(24)22(2)16-6-8-25-9-7-16/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,21,24).
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea?
3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea has a molecular weight of 362.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-1-methyl-1-(thian-4-yl)urea is sourced from PubChem (CID 118779314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).