N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C24H27FN4O — CID 112819630

IUPACN-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC(C)N2CCc3ccccc32)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O/c1-16(2)23-21(15-27-29(23)20-10-8-19(25)9-11-20)24(30)26-14-17(3)28-13-12-18-6-4-5-7-22(18)28/h4-11,15-17H,12-14H2,1-3H3,(H,26,30)
InChIKeyIQQMFVNZCPJIRD-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 112819630) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID112819630
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC(C)N2CCc3ccccc32)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O/c1-16(2)23-21(15-27-29(23)20-10-8-19(25)9-11-20)24(30)26-14-17(3)28-13-12-18-6-4-5-7-22(18)28/h4-11,15-17H,12-14H2,1-3H3,(H,26,30)
InChIKeyIQQMFVNZCPJIRD-UHFFFAOYSA-N
XLogP4.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976526
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55628686
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55662571
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 112819630) is N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC(C)N2CCc3ccccc32)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IQQMFVNZCPJIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16(2)23-21(15-27-29(23)20-10-8-19(25)9-11-20)24(30)26-14-17(3)28-13-12-18-6-4-5-7-22(18)28/h4-11,15-17H,12-14H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 112819630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).