4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C12H16F3N5OS — CID 87557610

IUPAC4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1NC(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C12H16F3N5OS/c1-7-6-9(12(13,14)15)17-20(7)18-11(21)19-4-2-8(3-5-19)10(16)22/h6,8H,2-5H2,1H3,(H2,16,22)(H,18,21)
InChIKeyWOYQDXORLSZKFC-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.87
Rot. Bonds2

About 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 87557610) has the molecular formula C12H16F3N5OS and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID87557610
Molecular FormulaC12H16F3N5OS
Molecular Weight335.36 g/mol
Exact Mass335.10
IUPAC Name4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1NC(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C12H16F3N5OS/c1-7-6-9(12(13,14)15)17-20(7)18-11(21)19-4-2-8(3-5-19)10(16)22/h6,8H,2-5H2,1H3,(H2,16,22)(H,18,21)
InChIKeyWOYQDXORLSZKFC-UHFFFAOYSA-N
XLogP1.87
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-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-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carbothioamide;sulfane
CID 87569282
ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 144862608
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45154034
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 35527896
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-[(3-methylphenyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropanecarboxamide
CID 67653211
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
1-(2,6-difluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 82815172
1-(3-bromo-5-methylbenzoyl)piperidine-4-carbothioamide
CID 104851586

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 87557610) is 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is Cc1cc(C(F)(F)F)nn1NC(=O)N1CCC(C(N)=S)CC1.
What is the InChIKey of 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is WOYQDXORLSZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5OS/c1-7-6-9(12(13,14)15)17-20(7)18-11(21)19-4-2-8(3-5-19)10(16)22/h6,8H,2-5H2,1H3,(H2,16,22)(H,18,21).
What are the key properties of 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 87557610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).