3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide

C25H20ClN3O — CID 57319763

IUPAC3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H20ClN3O/c26-21-12-9-19(10-13-21)24-23(18-5-2-1-3-6-18)16-29(28-24)25(30)27-22-14-11-17-7-4-8-20(17)15-22/h1-3,5-6,9-16H,4,7-8H2,(H,27,30)
InChIKeyHUQRDXRVCXQOFU-UHFFFAOYSA-N
MW413.91 g/mol
LogP6.44
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide

3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide (PubChem CID 57319763) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
PubChem CID57319763
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H20ClN3O/c26-21-12-9-19(10-13-21)24-23(18-5-2-1-3-6-18)16-29(28-24)25(30)27-22-14-11-17-7-4-8-20(17)15-22/h1-3,5-6,9-16H,4,7-8H2,(H,27,30)
InChIKeyHUQRDXRVCXQOFU-UHFFFAOYSA-N
XLogP6.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57015409
3,4-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56984935
N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
CID 57078314
3-(4-chlorophenyl)-N-[4-(4-nitrophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57012967
3-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57065633
3-(4-chlorophenyl)-N-[4-(4-hexoxyphenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57227443
3-(4-chlorophenyl)-N-(2,2-dimethyl-7-propan-2-yl-1,3-benzodioxol-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57190334
4,5-bis(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydropyrazole-2-carboxamide
CID 70408761
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-bis(4-fluorophenyl)pyrazole-1-carboxamide
CID 57316781

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide (CID 57319763) is 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide is O=C(Nc1ccc2c(c1)CCC2)n1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
The InChIKey is HUQRDXRVCXQOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c26-21-12-9-19(10-13-21)24-23(18-5-2-1-3-6-18)16-29(28-24)25(30)27-22-14-11-17-7-4-8-20(17)15-22/h1-3,5-6,9-16H,4,7-8H2,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide?
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 57319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).