2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid

C15H25N3O3 — CID 79265279

IUPAC2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-7-18-12(8-11(16-18)10(2)3)14(21)17(9-13(19)20)15(4,5)6/h8,10H,7,9H2,1-6H3,(H,19,20)
InChIKeyFJKGXNWSHQKJIQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.35
Rot. Bonds5

About 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid

2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid (PubChem CID 79265279) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
PubChem CID79265279
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-7-18-12(8-11(16-18)10(2)3)14(21)17(9-13(19)20)15(4,5)6/h8,10H,7,9H2,1-6H3,(H,19,20)
InChIKeyFJKGXNWSHQKJIQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid (CID 79265279) is 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid is CCn1nc(C(C)C)cc1C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
The InChIKey is FJKGXNWSHQKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-7-18-12(8-11(16-18)10(2)3)14(21)17(9-13(19)20)15(4,5)6/h8,10H,7,9H2,1-6H3,(H,19,20).
What are the key properties of 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 79265279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).