N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C19H24N4O2 — CID 45176025

IUPACN-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccccc1-n1ncc(C(C)NC(=O)CN2CCCC2=O)c1C
InChIInChI=1S/C19H24N4O2/c1-13-7-4-5-8-17(13)23-15(3)16(11-20-23)14(2)21-18(24)12-22-10-6-9-19(22)25/h4-5,7-8,11,14H,6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyLTWABULJCAFTGV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.29
Rot. Bonds5

About N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 45176025) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID45176025
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccccc1-n1ncc(C(C)NC(=O)CN2CCCC2=O)c1C
InChIInChI=1S/C19H24N4O2/c1-13-7-4-5-8-17(13)23-15(3)16(11-20-23)14(2)21-18(24)12-22-10-6-9-19(22)25/h4-5,7-8,11,14H,6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyLTWABULJCAFTGV-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 45176025) is N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1ccccc1-n1ncc(C(C)NC(=O)CN2CCCC2=O)c1C.
What is the InChIKey of N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is LTWABULJCAFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-7-4-5-8-17(13)23-15(3)16(11-20-23)14(2)21-18(24)12-22-10-6-9-19(22)25/h4-5,7-8,11,14H,6,9-10,12H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 45176025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).