N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H28N4O2 — CID 25161710

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCCCn3nc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C21H28N4O2/c1-15-5-7-18(8-6-15)13-24-14-19(12-20(24)26)21(27)22-9-4-10-25-17(3)11-16(2)23-25/h5-8,11,19H,4,9-10,12-14H2,1-3H3,(H,22,27)
InChIKeyMTAZUCCRRLIGIZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.36
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 25161710) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID25161710
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCCCn3nc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C21H28N4O2/c1-15-5-7-18(8-6-15)13-24-14-19(12-20(24)26)21(27)22-9-4-10-25-17(3)11-16(2)23-25/h5-8,11,19H,4,9-10,12-14H2,1-3H3,(H,22,27)
InChIKeyMTAZUCCRRLIGIZ-UHFFFAOYSA-N
XLogP2.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 25161710) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)NCCCn3nc(C)cc3C)CC2=O)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MTAZUCCRRLIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-5-7-18(8-6-15)13-24-14-19(12-20(24)26)21(27)22-9-4-10-25-17(3)11-16(2)23-25/h5-8,11,19H,4,9-10,12-14H2,1-3H3,(H,22,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25161710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).