(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

C14H22N4O3 — CID 97465094

IUPAC(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1
InChIInChI=1S/C14H22N4O3/c1-10(2)7-17-9-12(6-15-17)18-8-11(5-13(18)19)14(20)16(3)21-4/h6,9-11H,5,7-8H2,1-4H3/t11-/m1/s1
InChIKeyOJINMCZLGCVPGO-LLVKDONJSA-N
MW294.36 g/mol
LogP0.91
Rot. Bonds5

About (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97465094) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97465094
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1
InChIInChI=1S/C14H22N4O3/c1-10(2)7-17-9-12(6-15-17)18-8-11(5-13(18)19)14(20)16(3)21-4/h6,9-11H,5,7-8H2,1-4H3/t11-/m1/s1
InChIKeyOJINMCZLGCVPGO-LLVKDONJSA-N
XLogP0.91
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465114
1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 91945638
(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 97465111
(3R)-1-[1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97465161
methyl 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxylate
CID 168693018
1-(1,3-benzodioxol-5-yl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46588966
N-methyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830418
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71830371
(3R)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97416293
1-(5-chloro-2-methoxyphenyl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51148983

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 97465094) is (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is CON(C)C(=O)[C@@H]1CC(=O)N(c2cnn(CC(C)C)c2)C1.
What is the InChIKey of (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OJINMCZLGCVPGO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)7-17-9-12(6-15-17)18-8-11(5-13(18)19)14(20)16(3)21-4/h6,9-11H,5,7-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methoxy-N-methyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97465094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).