2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide

C20H26N4O — CID 86791246

IUPAC2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2cccc(CNC(=O)C(C3CC3)N3CCCC3)c2)cn1
InChIInChI=1S/C20H26N4O/c1-23-14-18(13-22-23)17-6-4-5-15(11-17)12-21-20(25)19(16-7-8-16)24-9-2-3-10-24/h4-6,11,13-14,16,19H,2-3,7-10,12H2,1H3,(H,21,25)
InChIKeyRFEOZXKLZLSJEH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.58
Rot. Bonds6

About 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide

2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 86791246) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID86791246
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1cc(-c2cccc(CNC(=O)C(C3CC3)N3CCCC3)c2)cn1
InChIInChI=1S/C20H26N4O/c1-23-14-18(13-22-23)17-6-4-5-15(11-17)12-21-20(25)19(16-7-8-16)24-9-2-3-10-24/h4-6,11,13-14,16,19H,2-3,7-10,12H2,1H3,(H,21,25)
InChIKeyRFEOZXKLZLSJEH-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide (CID 86791246) is 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide is Cn1cc(-c2cccc(CNC(=O)C(C3CC3)N3CCCC3)c2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is RFEOZXKLZLSJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-14-18(13-22-23)17-6-4-5-15(11-17)12-21-20(25)19(16-7-8-16)24-9-2-3-10-24/h4-6,11,13-14,16,19H,2-3,7-10,12H2,1H3,(H,21,25).
What are the key properties of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).