(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate

C22H21ClF2N4O3 — CID 171824562

IUPAC(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate
SMILESCC(NC(=O)c1cc(C(F)F)nn1C)c1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClF2N4O3/c1-13(26-21(30)19-11-18(20(24)25)28-29(19)2)15-5-9-17(10-6-15)27-22(31)32-12-14-3-7-16(23)8-4-14/h3-11,13,20H,12H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyOTWBVPKAZUIMCY-UHFFFAOYSA-N
MW462.88 g/mol
LogP5.25
Rot. Bonds7

About (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate (PubChem CID 171824562) has the molecular formula C22H21ClF2N4O3 and a molecular weight of 462.88 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate
PubChem CID171824562
Molecular FormulaC22H21ClF2N4O3
Molecular Weight462.88 g/mol
Exact Mass462.13
IUPAC Name(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate
SMILESCC(NC(=O)c1cc(C(F)F)nn1C)c1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClF2N4O3/c1-13(26-21(30)19-11-18(20(24)25)28-29(19)2)15-5-9-17(10-6-15)27-22(31)32-12-14-3-7-16(23)8-4-14/h3-11,13,20H,12H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyOTWBVPKAZUIMCY-UHFFFAOYSA-N
XLogP5.25
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.88
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate 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

(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate
CID 171824006
(4-methylphenyl)methyl N-[4-[(1S)-1-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]ethyl]phenyl]carbamate;molecular hydrogen
CID 171824634
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 136558217
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 58417388
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
(4-chlorophenyl)methyl N-[4-[[methyl-(2-propan-2-ylpyrazole-3-carbonyl)amino]methyl]phenyl]carbamate
CID 171824706
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
benzyl N-[(2S)-1-[1-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55929771
(4-chlorophenyl)methyl N-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]phenyl]carbamate
CID 171824587
(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate
CID 22620315

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate (CID 171824562) is (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate is CC(NC(=O)c1cc(C(F)F)nn1C)c1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate?
The InChIKey is OTWBVPKAZUIMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N4O3/c1-13(26-21(30)19-11-18(20(24)25)28-29(19)2)15-5-9-17(10-6-15)27-22(31)32-12-14-3-7-16(23)8-4-14/h3-11,13,20H,12H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate has a molecular weight of 462.88 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[1-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 171824562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).