1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

C23H22F2N4O2 — CID 55638722

IUPAC1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H22F2N4O2/c1-14-21(15(2)29(27-14)20-9-8-17(24)13-19(20)25)22(30)26-18-7-5-6-16(12-18)23(31)28-10-3-4-11-28/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,26,30)
InChIKeyNXKKOVOLZNXVDL-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.26
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55638722) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
PubChem CID55638722
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H22F2N4O2/c1-14-21(15(2)29(27-14)20-9-8-17(24)13-19(20)25)22(30)26-18-7-5-6-16(12-18)23(31)28-10-3-4-11-28/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,26,30)
InChIKeyNXKKOVOLZNXVDL-UHFFFAOYSA-N
XLogP4.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55639239
2-fluoro-6-hydroxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 99619341
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55639056
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
1-(2,4-difluorophenyl)-3,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrazole-4-carboxamide
CID 55639493
(3S)-1-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 125148672
1-(2,4-difluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86974256
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-[4-(cyanomethoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55638721
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55961631

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (CID 55638722) is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is NXKKOVOLZNXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-14-21(15(2)29(27-14)20-9-8-17(24)13-19(20)25)22(30)26-18-7-5-6-16(12-18)23(31)28-10-3-4-11-28/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,26,30).
What are the key properties of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.26, 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-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55638722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).