1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C22H24F2N6O2 — CID 86949523

IUPAC1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3cn(C)nc3-c3ccc(F)cc3F)CC2)cn1
InChIInChI=1S/C22H24F2N6O2/c1-3-30-12-16(11-25-30)26-21(31)14-6-8-29(9-7-14)22(32)18-13-28(2)27-20(18)17-5-4-15(23)10-19(17)24/h4-5,10-14H,3,6-9H2,1-2H3,(H,26,31)
InChIKeyADSVCIGNVGTNCL-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.07
Rot. Bonds5

About 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86949523) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86949523
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3cn(C)nc3-c3ccc(F)cc3F)CC2)cn1
InChIInChI=1S/C22H24F2N6O2/c1-3-30-12-16(11-25-30)26-21(31)14-6-8-29(9-7-14)22(32)18-13-28(2)27-20(18)17-5-4-15(23)10-19(17)24/h4-5,10-14H,3,6-9H2,1-2H3,(H,26,31)
InChIKeyADSVCIGNVGTNCL-UHFFFAOYSA-N
XLogP3.07
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,4-difluorophenoxy)butanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882164
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N-(1-ethylpyrazol-4-yl)-1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide
CID 86882199
1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973530
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949308
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 86949275
1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
N-[1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 86948304
1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947532
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124694982

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86949523) is 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)c3cn(C)nc3-c3ccc(F)cc3F)CC2)cn1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is ADSVCIGNVGTNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c1-3-30-12-16(11-25-30)26-21(31)14-6-8-29(9-7-14)22(32)18-13-28(2)27-20(18)17-5-4-15(23)10-19(17)24/h4-5,10-14H,3,6-9H2,1-2H3,(H,26,31).
What are the key properties of 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86949523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).