1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

C19H23F3N4O3S — CID 167334327

IUPAC1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(CC2CCCCC2)c(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1C(F)(F)F
InChIInChI=1S/C19H23F3N4O3S/c1-12-16(19(20,21)22)17(26(25-12)11-13-6-3-2-4-7-13)18(27)24-14-8-5-9-15(10-14)30(23,28)29/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyVNQRFMJFUJYIFX-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.69
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167334327) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167334327
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(CC2CCCCC2)c(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1C(F)(F)F
InChIInChI=1S/C19H23F3N4O3S/c1-12-16(19(20,21)22)17(26(25-12)11-13-6-3-2-4-7-13)18(27)24-14-8-5-9-15(10-14)30(23,28)29/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyVNQRFMJFUJYIFX-UHFFFAOYSA-N
XLogP3.69
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528600
3-methyl-N-[3-[methyl(dimethylidene)-λ6-sulfanyl]phenyl]-1-(oxetan-2-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528395
7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771986
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(2-methylsulfonyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239583
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
1-(spiro[2.3]hexan-5-ylmethyl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772230
5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
CID 166528496
4-[[3-methyl-1-[(3,3,4,4-tetrafluorocyclopentyl)methyl]-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
CID 166528852
5-[[1-[(3,3-difluorocyclopentyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxamide
CID 172751835
N-(3-methylsulfonylphenyl)-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239510
N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 171772052
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 167334327) is 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nn(CC2CCCCC2)c(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1C(F)(F)F.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VNQRFMJFUJYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-12-16(19(20,21)22)17(26(25-12)11-13-6-3-2-4-7-13)18(27)24-14-8-5-9-15(10-14)30(23,28)29/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,24,27)(H2,23,28,29).
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167334327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).