1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C23H25N5O2 — CID 60560167

IUPAC1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C23H25N5O2/c24-23(30)21-10-5-11-27(21)15-17-6-4-7-19(12-17)26-22(29)13-18-14-25-28(16-18)20-8-2-1-3-9-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15H2,(H2,24,30)(H,26,29)
InChIKeyBSTOFPAHIWFVOY-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.50
Rot. Bonds7

About 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 60560167) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID60560167
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C23H25N5O2/c24-23(30)21-10-5-11-27(21)15-17-6-4-7-19(12-17)26-22(29)13-18-14-25-28(16-18)20-8-2-1-3-9-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15H2,(H2,24,30)(H,26,29)
InChIKeyBSTOFPAHIWFVOY-UHFFFAOYSA-N
XLogP2.50
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 60560167) is 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BSTOFPAHIWFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-23(30)21-10-5-11-27(21)15-17-6-4-7-19(12-17)26-22(29)13-18-14-25-28(16-18)20-8-2-1-3-9-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15H2,(H2,24,30)(H,26,29).
What are the key properties of 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60560167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).