4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide

C17H18N4O3 — CID 6463068

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide
SMILESCc1nn(C(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N4O3/c1-10-14(11(2)21(18-10)17(24)19(3)4)9-20-15(22)12-7-5-6-8-13(12)16(20)23/h5-8H,9H2,1-4H3
InChIKeyGSLHUNUGHCJPIW-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.83
Rot. Bonds2

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide (PubChem CID 6463068) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide
PubChem CID6463068
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide
SMILESCc1nn(C(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N4O3/c1-10-14(11(2)21(18-10)17(24)19(3)4)9-20-15(22)12-7-5-6-8-13(12)16(20)23/h5-8H,9H2,1-4H3
InChIKeyGSLHUNUGHCJPIW-UHFFFAOYSA-N
XLogP1.83
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide (CID 6463068) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide is Cc1nn(C(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide?
The InChIKey is GSLHUNUGHCJPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-14(11(2)21(18-10)17(24)19(3)4)9-20-15(22)12-7-5-6-8-13(12)16(20)23/h5-8H,9H2,1-4H3.
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N,N,3,5-tetramethylpyrazole-1-carboxamide is sourced from PubChem (CID 6463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).