N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C23H28N6O2 — CID 46411780

IUPACN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1c(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)nn(-c2ccccc2)c1N
InChIInChI=1S/C23H28N6O2/c24-14-19-20(27-29(22(19)25)18-9-2-1-3-10-18)11-6-12-26-23(31)16-13-21(30)28(15-16)17-7-4-5-8-17/h1-3,9-10,16-17H,4-8,11-13,15,25H2,(H,26,31)
InChIKeyNLYZVDSLTHMESZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46411780) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46411780
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1c(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)nn(-c2ccccc2)c1N
InChIInChI=1S/C23H28N6O2/c24-14-19-20(27-29(22(19)25)18-9-2-1-3-10-18)11-6-12-26-23(31)16-13-21(30)28(15-16)17-7-4-5-8-17/h1-3,9-10,16-17H,4-8,11-13,15,25H2,(H,26,31)
InChIKeyNLYZVDSLTHMESZ-UHFFFAOYSA-N
XLogP2.17
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylcarbamoyl]-2-oxopiperidin-1-yl]acetic acid
CID 166378901
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370203
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677783
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
CID 38784665
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
2-amino-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 166391694

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 46411780) is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is N#Cc1c(CCCNC(=O)C2CC(=O)N(C3CCCC3)C2)nn(-c2ccccc2)c1N.
What is the InChIKey of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NLYZVDSLTHMESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-14-19-20(27-29(22(19)25)18-9-2-1-3-10-18)11-6-12-26-23(31)16-13-21(30)28(15-16)17-7-4-5-8-17/h1-3,9-10,16-17H,4-8,11-13,15,25H2,(H,26,31).
What are the key properties of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46411780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).