2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide

C18H28N4O2 — CID 3538975

IUPAC2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)NC(C)C
InChIInChI=1S/C18H28N4O2/c1-5-14-9-7-10-15(6-2)16(14)20-18(24)22-12-8-11-21(22)17(23)19-13(3)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyXGULJRNFUNXZMD-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.38
Rot. Bonds4

About 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide

2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide (PubChem CID 3538975) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
PubChem CID3538975
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)NC(C)C
InChIInChI=1S/C18H28N4O2/c1-5-14-9-7-10-15(6-2)16(14)20-18(24)22-12-8-11-21(22)17(23)19-13(3)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyXGULJRNFUNXZMD-UHFFFAOYSA-N
XLogP3.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide (CID 3538975) is 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide is CCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)NC(C)C.
What is the InChIKey of 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide?
The InChIKey is XGULJRNFUNXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-14-9-7-10-15(6-2)16(14)20-18(24)22-12-8-11-21(22)17(23)19-13(3)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide?
2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide is sourced from PubChem (CID 3538975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).