3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide

C20H19N5O2 — CID 122515850

IUPAC3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide
SMILESNC(=O)c1cccc(NC2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C20H19N5O2/c21-19(26)14-2-1-3-16(10-14)24-18-8-9-25(20(18)27)17-6-4-13(5-7-17)15-11-22-23-12-15/h1-7,10-12,18,24H,8-9H2,(H2,21,26)(H,22,23)
InChIKeyJWCSXWZNVOSIJH-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.39
Rot. Bonds5

About 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide

3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide (PubChem CID 122515850) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide
PubChem CID122515850
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide
SMILESNC(=O)c1cccc(NC2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C20H19N5O2/c21-19(26)14-2-1-3-16(10-14)24-18-8-9-25(20(18)27)17-6-4-13(5-7-17)15-11-22-23-12-15/h1-7,10-12,18,24H,8-9H2,(H2,21,26)(H,22,23)
InChIKeyJWCSXWZNVOSIJH-UHFFFAOYSA-N
XLogP2.39
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide?
The IUPAC name of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide (CID 122515850) is 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide.
What is the SMILES notation for 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide?
The canonical SMILES for 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide is NC(=O)c1cccc(NC2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1.
What is the InChIKey of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide?
The InChIKey is JWCSXWZNVOSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-19(26)14-2-1-3-16(10-14)24-18-8-9-25(20(18)27)17-6-4-13(5-7-17)15-11-22-23-12-15/h1-7,10-12,18,24H,8-9H2,(H2,21,26)(H,22,23).
What are the key properties of 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide?
3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide has a molecular weight of 361.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]amino]benzamide is sourced from PubChem (CID 122515850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).