(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C18H20N4O3 — CID 31852932

IUPAC(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)Cc1cnn(C)c1)C2=O
InChIInChI=1S/C18H20N4O3/c1-11-5-6-14-15(7-11)18(25)22(17(14)24)12(2)16(23)20(3)9-13-8-19-21(4)10-13/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1
InChIKeyBZAJOHGBFFTTEL-GFCCVEGCSA-N
MW340.38 g/mol
LogP1.37
Rot. Bonds4

About (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 31852932) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID31852932
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)Cc1cnn(C)c1)C2=O
InChIInChI=1S/C18H20N4O3/c1-11-5-6-14-15(7-11)18(25)22(17(14)24)12(2)16(23)20(3)9-13-8-19-21(4)10-13/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1
InChIKeyBZAJOHGBFFTTEL-GFCCVEGCSA-N
XLogP1.37
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
CID 119346595
N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 51336511
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134037136
N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901
N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 51266547
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037059
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 51336490
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 31852932) is (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)Cc1cnn(C)c1)C2=O.
What is the InChIKey of (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is BZAJOHGBFFTTEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-5-6-14-15(7-11)18(25)22(17(14)24)12(2)16(23)20(3)9-13-8-19-21(4)10-13/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 340.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 31852932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).