1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide

C22H21F2N5O3 — CID 162440103

IUPAC1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)NC2CCOCC2)cc1
InChIInChI=1S/C22H21F2N5O3/c23-16-2-1-3-17(24)20(16)29-12-18(19(28-29)21(25)30)26-14-6-4-13(5-7-14)22(31)27-15-8-10-32-11-9-15/h1-7,12,15,26H,8-11H2,(H2,25,30)(H,27,31)
InChIKeyUQRSEJRZPWUPDO-UHFFFAOYSA-N
MW441.44 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide (PubChem CID 162440103) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide
PubChem CID162440103
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)NC2CCOCC2)cc1
InChIInChI=1S/C22H21F2N5O3/c23-16-2-1-3-17(24)20(16)29-12-18(19(28-29)21(25)30)26-14-6-4-13(5-7-14)22(31)27-15-8-10-32-11-9-15/h1-7,12,15,26H,8-11H2,(H2,25,30)(H,27,31)
InChIKeyUQRSEJRZPWUPDO-UHFFFAOYSA-N
XLogP2.90
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-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-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
2-(2,6-difluorophenyl)-5-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide
CID 59587374
N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71937523
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(oxan-4-yl)benzamide
CID 43610520
2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide
CID 167560687
4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide
CID 122650502
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
CID 162440073
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide (CID 162440103) is 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)NC2CCOCC2)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide?
The InChIKey is UQRSEJRZPWUPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c23-16-2-1-3-17(24)20(16)29-12-18(19(28-29)21(25)30)26-14-6-4-13(5-7-14)22(31)27-15-8-10-32-11-9-15/h1-7,12,15,26H,8-11H2,(H2,25,30)(H,27,31).
What are the key properties of 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).