N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide

C22H25F2N3O2 — CID 55890509

IUPACN-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O2/c1-14(2)12-27-16(4)19(15(3)25-27)11-22(28)26(13-18-6-5-9-29-18)21-8-7-17(23)10-20(21)24/h5-10,14H,11-13H2,1-4H3
InChIKeyDEBSAWSYCOKCKR-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.80
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide

N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 55890509) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID55890509
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC NameN-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O2/c1-14(2)12-27-16(4)19(15(3)25-27)11-22(28)26(13-18-6-5-9-29-18)21-8-7-17(23)10-20(21)24/h5-10,14H,11-13H2,1-4H3
InChIKeyDEBSAWSYCOKCKR-UHFFFAOYSA-N
XLogP4.80
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 55594630
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 71889559
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55889614
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55890384
N-(2,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 55889353
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 51926830
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 75416181
N-(4-bromophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55886741
5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55888592

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 55890509) is N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DEBSAWSYCOKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-14(2)12-27-16(4)19(15(3)25-27)11-22(28)26(13-18-6-5-9-29-18)21-8-7-17(23)10-20(21)24/h5-10,14H,11-13H2,1-4H3.
What are the key properties of N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 401.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 55890509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).