3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide

C26H21F2N3O2 — CID 57015409

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)n1cc(-c2ccccc2)c(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C26H21F2N3O2/c27-25(28)33-22-13-10-19(11-14-22)24-23(18-5-2-1-3-6-18)16-31(30-24)26(32)29-21-12-9-17-7-4-8-20(17)15-21/h1-3,5-6,9-16,25H,4,7-8H2,(H,29,32)
InChIKeyHGWSZKLVHBJMIN-UHFFFAOYSA-N
MW445.47 g/mol
LogP6.39
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide

3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide (PubChem CID 57015409) has the molecular formula C26H21F2N3O2 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
PubChem CID57015409
Molecular FormulaC26H21F2N3O2
Molecular Weight445.47 g/mol
Exact Mass445.16
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)n1cc(-c2ccccc2)c(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C26H21F2N3O2/c27-25(28)33-22-13-10-19(11-14-22)24-23(18-5-2-1-3-6-18)16-31(30-24)26(32)29-21-12-9-17-7-4-8-20(17)15-21/h1-3,5-6,9-16,25H,4,7-8H2,(H,29,32)
InChIKeyHGWSZKLVHBJMIN-UHFFFAOYSA-N
XLogP6.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
CID 57078314
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-bis(4-fluorophenyl)pyrazole-1-carboxamide
CID 57316781
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 57205191
3,4-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56984935
bis(3,4-diphenylpyrazol-1-yl)methanone
CID 58850875
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
5-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 21294705
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46384296
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide (CID 57015409) is 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide is O=C(Nc1ccc2c(c1)CCC2)n1cc(-c2ccccc2)c(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
The InChIKey is HGWSZKLVHBJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O2/c27-25(28)33-22-13-10-19(11-14-22)24-23(18-5-2-1-3-6-18)16-31(30-24)26(32)29-21-12-9-17-7-4-8-20(17)15-21/h1-3,5-6,9-16,25H,4,7-8H2,(H,29,32).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 57015409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).