1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide

C19H25N5O2 — CID 171143171

IUPAC1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccccc2)CC1NC(=O)Cn1ccc(C)n1
InChIInChI=1S/C19H25N5O2/c1-14-8-9-24(22-14)13-18(25)21-17-12-23(11-16(17)19(26)20-2)10-15-6-4-3-5-7-15/h3-9,16-17H,10-13H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyJMEGVBRXQJWLOA-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.55
Rot. Bonds6

About 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide

1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide (PubChem CID 171143171) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide
PubChem CID171143171
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccccc2)CC1NC(=O)Cn1ccc(C)n1
InChIInChI=1S/C19H25N5O2/c1-14-8-9-24(22-14)13-18(25)21-17-12-23(11-16(17)19(26)20-2)10-15-6-4-3-5-7-15/h3-9,16-17H,10-13H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyJMEGVBRXQJWLOA-UHFFFAOYSA-N
XLogP0.55
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide (CID 171143171) is 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide is CNC(=O)C1CN(Cc2ccccc2)CC1NC(=O)Cn1ccc(C)n1.
What is the InChIKey of 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide?
The InChIKey is JMEGVBRXQJWLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-8-9-24(22-14)13-18(25)21-17-12-23(11-16(17)19(26)20-2)10-15-6-4-3-5-7-15/h3-9,16-17H,10-13H2,1-2H3,(H,20,26)(H,21,25).
What are the key properties of 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide?
1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171143171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).