N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

C20H21N5O2 — CID 47069919

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1c[nH]cc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N5O2/c26-19(24-8-4-5-9-24)13-22-20(27)18-12-21-11-17(18)15-10-23-25(14-15)16-6-2-1-3-7-16/h1-3,6-7,10-12,14,21H,4-5,8-9,13H2,(H,22,27)
InChIKeyDADGGMCYALBSSN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.22
Rot. Bonds5

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 47069919) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID47069919
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1c[nH]cc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N5O2/c26-19(24-8-4-5-9-24)13-22-20(27)18-12-21-11-17(18)15-10-23-25(14-15)16-6-2-1-3-7-16/h1-3,6-7,10-12,14,21H,4-5,8-9,13H2,(H,22,27)
InChIKeyDADGGMCYALBSSN-UHFFFAOYSA-N
XLogP2.22
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (CID 47069919) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is O=C(NCC(=O)N1CCCC1)c1c[nH]cc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is DADGGMCYALBSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(24-8-4-5-9-24)13-22-20(27)18-12-21-11-17(18)15-10-23-25(14-15)16-6-2-1-3-7-16/h1-3,6-7,10-12,14,21H,4-5,8-9,13H2,(H,22,27).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47069919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).