3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea

C19H25F2N5O3S — CID 10321077

IUPAC3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
SMILESCC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2cnn(-c3cc(F)cc(F)c3)c2)CC1
InChIInChI=1S/C19H25F2N5O3S/c1-13(2)30(28,29)25-6-4-17(5-7-25)24(3)19(27)23-16-11-22-26(12-16)18-9-14(20)8-15(21)10-18/h8-13,17H,4-7H2,1-3H3,(H,23,27)
InChIKeyYJVJTTWSMUDFHF-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.82
Rot. Bonds5

About 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea

3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea (PubChem CID 10321077) has the molecular formula C19H25F2N5O3S and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
PubChem CID10321077
Molecular FormulaC19H25F2N5O3S
Molecular Weight441.50 g/mol
Exact Mass441.16
IUPAC Name3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
SMILESCC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2cnn(-c3cc(F)cc(F)c3)c2)CC1
InChIInChI=1S/C19H25F2N5O3S/c1-13(2)30(28,29)25-6-4-17(5-7-25)24(3)19(27)23-16-11-22-26(12-16)18-9-14(20)8-15(21)10-18/h8-13,17H,4-7H2,1-3H3,(H,23,27)
InChIKeyYJVJTTWSMUDFHF-UHFFFAOYSA-N
XLogP2.82
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-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

Btt-3033
CID 49841251
1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164616441
3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 47039313
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea
CID 47090322
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53502526
4-(4-fluorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56762171
3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
CID 71856029
1-(5-Fluoro-2-pyrazol-1-ylphenyl)-3-(2-methylsulfinylethyl)urea
CID 71992291
1-[2-(2,6-Dimethylmorpholin-4-yl)sulfonylethyl]-3-(3-fluoro-4-pyrazol-1-ylphenyl)urea
CID 53526359
4-(2-(1H-pyrazol-1-yl)ethyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 71783838
1-[2-(Dimethylamino)ethyl]-3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylurea
CID 71856033
(3S)-3-methyl-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
CID 96478580

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea (CID 10321077) is 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea is CC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2cnn(-c3cc(F)cc(F)c3)c2)CC1.
What is the InChIKey of 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
The InChIKey is YJVJTTWSMUDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O3S/c1-13(2)30(28,29)25-6-4-17(5-7-25)24(3)19(27)23-16-11-22-26(12-16)18-9-14(20)8-15(21)10-18/h8-13,17H,4-7H2,1-3H3,(H,23,27).
What are the key properties of 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea has a molecular weight of 441.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 10321077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).