(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H22N4O2 — CID 97457095

IUPAC(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-4-22-10-9-15(20-22)19-18(24)14-11-16(23)21(3)17(14)13-7-5-12(2)6-8-13/h5-10,14,17H,4,11H2,1-3H3,(H,19,20,24)/t14-,17+/m1/s1
InChIKeyCRTMGPVSTNLWAN-PBHICJAKSA-N
MW326.40 g/mol
LogP2.37
Rot. Bonds4

About (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97457095) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97457095
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-4-22-10-9-15(20-22)19-18(24)14-11-16(23)21(3)17(14)13-7-5-12(2)6-8-13/h5-10,14,17H,4,11H2,1-3H3,(H,19,20,24)/t14-,17+/m1/s1
InChIKeyCRTMGPVSTNLWAN-PBHICJAKSA-N
XLogP2.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97457095) is (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)n1.
What is the InChIKey of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CRTMGPVSTNLWAN-PBHICJAKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-22-10-9-15(20-22)19-18(24)14-11-16(23)21(3)17(14)13-7-5-12(2)6-8-13/h5-10,14,17H,4,11H2,1-3H3,(H,19,20,24)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97457095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).