N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide

C21H21F2N3O — CID 118560592

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H21F2N3O/c1-14(2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)
InChIKeyVOSFWDZWOGANJL-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.51
Rot. Bonds6

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118560592) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118560592
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H21F2N3O/c1-14(2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)
InChIKeyVOSFWDZWOGANJL-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
Gsk-5498A
CID 46945384
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560191
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560356
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 118560393

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118560592) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is VOSFWDZWOGANJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-14(2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118560592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).