N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H21F3N4O4S — CID 24895341

IUPACN-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CO)cc1
InChIInChI=1S/C18H21F3N4O4S/c1-24-15(10-16(23-24)18(19,20)21)17(27)22-12-5-7-14(8-6-12)30(28,29)25-9-3-2-4-13(25)11-26/h5-8,10,13,26H,2-4,9,11H2,1H3,(H,22,27)
InChIKeyBWXATXFIBGNHGD-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.23
Rot. Bonds5

About N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 24895341) has the molecular formula C18H21F3N4O4S and a molecular weight of 446.45 g/mol. Its IUPAC name is N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID24895341
Molecular FormulaC18H21F3N4O4S
Molecular Weight446.45 g/mol
Exact Mass446.12
IUPAC NameN-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CO)cc1
InChIInChI=1S/C18H21F3N4O4S/c1-24-15(10-16(23-24)18(19,20)21)17(27)22-12-5-7-14(8-6-12)30(28,29)25-9-3-2-4-13(25)11-26/h5-8,10,13,26H,2-4,9,11H2,1H3,(H,22,27)
InChIKeyBWXATXFIBGNHGD-UHFFFAOYSA-N
XLogP2.23
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide 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

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 57521469
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4397834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24895441
N-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57521465
N-{4-[(ethylamino)sulfonyl]phenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 3243581
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895239
1-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895437
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895438
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895439
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895440
N-[4-(azocan-1-ylsulfonyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895535

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 24895341) is N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CO)cc1.
What is the InChIKey of N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BWXATXFIBGNHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O4S/c1-24-15(10-16(23-24)18(19,20)21)17(27)22-12-5-7-14(8-6-12)30(28,29)25-9-3-2-4-13(25)11-26/h5-8,10,13,26H,2-4,9,11H2,1H3,(H,22,27).
What are the key properties of N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24895341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).