1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide

C17H19F2N3OS — CID 96539273

IUPAC1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1CCCS1
InChIInChI=1S/C17H19F2N3OS/c1-10-16(17(23)20-9-13-4-3-7-24-13)11(2)22(21-10)15-6-5-12(18)8-14(15)19/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyTXLXSDTYGMHBOH-ZDUSSCGKSA-N
MW351.42 g/mol
LogP3.39
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide

1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 96539273) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID96539273
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1CCCS1
InChIInChI=1S/C17H19F2N3OS/c1-10-16(17(23)20-9-13-4-3-7-24-13)11(2)22(21-10)15-6-5-12(18)8-14(15)19/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyTXLXSDTYGMHBOH-ZDUSSCGKSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(2-tert-butyloxan-3-yl)methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86972103
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 52908736
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2S)-thiolan-2-yl]methyl]acetamide
CID 96539271
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 51940559
N-[2-(2-cyano-3-fluoroanilino)ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55859450
1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55639239
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55639396
1-(2,4-difluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86974256
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-4-carboxamide
CID 55858045
cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55639056
N-(3-benzylsulfonylpropyl)-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55857915

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide (CID 96539273) is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1CCCS1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is TXLXSDTYGMHBOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c1-10-16(17(23)20-9-13-4-3-7-24-13)11(2)22(21-10)15-6-5-12(18)8-14(15)19/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[(2S)-thiolan-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 96539273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).