N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide

C28H27F3N6O2 — CID 171685269

IUPACN-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)Nc1cnn(C2CCN(C(=O)c3cc(-c4cc(F)cc(F)c4)n[nH]3)CC2)c1
InChIInChI=1S/C28H27F3N6O2/c1-17(10-18-2-4-20(29)5-3-18)27(38)33-23-15-32-37(16-23)24-6-8-36(9-7-24)28(39)26-14-25(34-35-26)19-11-21(30)13-22(31)12-19/h2-5,11-17,24H,6-10H2,1H3,(H,33,38)(H,34,35)
InChIKeyALUJVDRUTTVVOS-UHFFFAOYSA-N
MW536.56 g/mol
LogP4.99
Rot. Bonds7

About N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide

N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 171685269) has the molecular formula C28H27F3N6O2 and a molecular weight of 536.56 g/mol. Its IUPAC name is N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide
PubChem CID171685269
Molecular FormulaC28H27F3N6O2
Molecular Weight536.56 g/mol
Exact Mass536.21
IUPAC NameN-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)Nc1cnn(C2CCN(C(=O)c3cc(-c4cc(F)cc(F)c4)n[nH]3)CC2)c1
InChIInChI=1S/C28H27F3N6O2/c1-17(10-18-2-4-20(29)5-3-18)27(38)33-23-15-32-37(16-23)24-6-8-36(9-7-24)28(39)26-14-25(34-35-26)19-11-21(30)13-22(31)12-19/h2-5,11-17,24H,6-10H2,1H3,(H,33,38)(H,34,35)
InChIKeyALUJVDRUTTVVOS-UHFFFAOYSA-N
XLogP4.99
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.56
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-[(4-fluorophenyl)methyl]phenyl]acetamide
CID 171683942
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 171682994
N-(4-ethylphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087608
N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 52529847
N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977
3-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156683
N-[1-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]-4-[4-(trifluoromethyl)phenyl]butanamide
CID 171681199
N-[1-(oxan-4-yl)pyrazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90597747
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125135480
3-[[3-(4-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141007903

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide (CID 171685269) is N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide is CC(Cc1ccc(F)cc1)C(=O)Nc1cnn(C2CCN(C(=O)c3cc(-c4cc(F)cc(F)c4)n[nH]3)CC2)c1.
What is the InChIKey of N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is ALUJVDRUTTVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2/c1-17(10-18-2-4-20(29)5-3-18)27(38)33-23-15-32-37(16-23)24-6-8-36(9-7-24)28(39)26-14-25(34-35-26)19-11-21(30)13-22(31)12-19/h2-5,11-17,24H,6-10H2,1H3,(H,33,38)(H,34,35).
What are the key properties of N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide?
N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 536.56 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 171685269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).