N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

C24H24FN5O — CID 86957248

IUPACN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESN#Cc1c(CCCNC(=O)CC2CCc3ccccc32)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C24H24FN5O/c25-18-9-11-19(12-10-18)30-24(27)21(15-26)22(29-30)6-3-13-28-23(31)14-17-8-7-16-4-1-2-5-20(16)17/h1-2,4-5,9-12,17H,3,6-8,13-14,27H2,(H,28,31)
InChIKeyXHHQRHZAJPMODH-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.63
Rot. Bonds7

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 86957248) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID86957248
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESN#Cc1c(CCCNC(=O)CC2CCc3ccccc32)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C24H24FN5O/c25-18-9-11-19(12-10-18)30-24(27)21(15-26)22(29-30)6-3-13-28-23(31)14-17-8-7-16-4-1-2-5-20(16)17/h1-2,4-5,9-12,17H,3,6-8,13-14,27H2,(H,28,31)
InChIKeyXHHQRHZAJPMODH-UHFFFAOYSA-N
XLogP3.63
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-9H-xanthene-9-carboxamide
CID 39022160
3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoylamino]propanoic acid
CID 122019327
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 38772367
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)acetamide
CID 39002853
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 38307287
N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxopropyl]-4-tert-butylbenzamide
CID 39022911
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1,3-benzodioxole-4-carboxamide
CID 55835323
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-methylindole-2-carboxamide
CID 55910719
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55965791
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-methylquinoline-4-carboxamide
CID 38307462
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(3-chloro-4-methoxyphenyl)propanamide
CID 55653382
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 39003043

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 86957248) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is N#Cc1c(CCCNC(=O)CC2CCc3ccccc32)nn(-c2ccc(F)cc2)c1N.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is XHHQRHZAJPMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c25-18-9-11-19(12-10-18)30-24(27)21(15-26)22(29-30)6-3-13-28-23(31)14-17-8-7-16-4-1-2-5-20(16)17/h1-2,4-5,9-12,17H,3,6-8,13-14,27H2,(H,28,31).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 86957248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).