(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C16H17ClN4O2 — CID 52899170

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-20-10-13(7-18-20)19-16(23)12-6-15(22)21(9-12)8-11-4-2-3-5-14(11)17/h2-5,7,10,12H,6,8-9H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyOGDBCOFJKASHBS-GFCCVEGCSA-N
MW332.79 g/mol
LogP2.06
Rot. Bonds4

About (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52899170) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52899170
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-20-10-13(7-18-20)19-16(23)12-6-15(22)21(9-12)8-11-4-2-3-5-14(11)17/h2-5,7,10,12H,6,8-9H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyOGDBCOFJKASHBS-GFCCVEGCSA-N
XLogP2.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418
(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8712834
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
1-[(2-chlorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 45492463
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 52899170) is (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGDBCOFJKASHBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-20-10-13(7-18-20)19-16(23)12-6-15(22)21(9-12)8-11-4-2-3-5-14(11)17/h2-5,7,10,12H,6,8-9H2,1H3,(H,19,23)/t12-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52899170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).