N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide

C18H22N4O2 — CID 95226268

IUPACN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)22(11-16-6-7-17(23)21-16)18(24)14-5-3-4-13(8-14)15-9-19-20-10-15/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H,19,20)(H,21,23)/t16-/m1/s1
InChIKeyDWGRQWBLWYSGMH-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.21
Rot. Bonds5

About N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide

N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 95226268) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide
PubChem CID95226268
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)22(11-16-6-7-17(23)21-16)18(24)14-5-3-4-13(8-14)15-9-19-20-10-15/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H,19,20)(H,21,23)/t16-/m1/s1
InChIKeyDWGRQWBLWYSGMH-MRXNPFEDSA-N
XLogP2.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide (CID 95226268) is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide is CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is DWGRQWBLWYSGMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)22(11-16-6-7-17(23)21-16)18(24)14-5-3-4-13(8-14)15-9-19-20-10-15/h3-5,8-10,12,16H,6-7,11H2,1-2H3,(H,19,20)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide?
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 95226268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).