[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate

C15H11ClF3N5O4S2 — CID 87445957

IUPAC[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)sc1S(N)(=O)=O
InChIInChI=1S/C15H11ClF3N5O4S2/c1-7-12(30(20,26)27)29-13(22-7)23-14(25)28-10-6-21-24(11(10)15(17,18)19)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,20,26,27)(H,22,23,25)
InChIKeyWKVMXHUUFTUWKM-UHFFFAOYSA-N
MW481.87 g/mol
LogP3.57
Rot. Bonds4

About [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate (PubChem CID 87445957) has the molecular formula C15H11ClF3N5O4S2 and a molecular weight of 481.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
PubChem CID87445957
Molecular FormulaC15H11ClF3N5O4S2
Molecular Weight481.87 g/mol
Exact Mass480.99
IUPAC Name[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)sc1S(N)(=O)=O
InChIInChI=1S/C15H11ClF3N5O4S2/c1-7-12(30(20,26)27)29-13(22-7)23-14(25)28-10-6-21-24(11(10)15(17,18)19)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,20,26,27)(H,22,23,25)
InChIKeyWKVMXHUUFTUWKM-UHFFFAOYSA-N
XLogP3.57
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.87
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
CID 87445312
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(5,6-dichloro-1-methylbenzimidazol-2-yl)carbamate
CID 87445596
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(2,4,6-triethyl-3-nitrophenyl)carbamate
CID 87446605
[1-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-4-yl] N-pyridin-4-ylcarbamate
CID 87446039
[5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
CID 87314339
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
1-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 87043507
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24594336
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 82527513
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-methylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate (CID 87445957) is [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate is Cc1nc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)sc1S(N)(=O)=O.
What is the InChIKey of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is WKVMXHUUFTUWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O4S2/c1-7-12(30(20,26)27)29-13(22-7)23-14(25)28-10-6-21-24(11(10)15(17,18)19)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,20,26,27)(H,22,23,25).
What are the key properties of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate?
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 481.87 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87445957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).