3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid

C15H25N3O3 — CID 119190641

IUPAC3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H25N3O3/c1-10(2)9-18(7-6-13(19)20)14(21)11-8-12(17-16-11)15(3,4)5/h8,10H,6-7,9H2,1-5H3,(H,16,17)(H,19,20)
InChIKeyYHSMNHRBLCWRAD-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.28
Rot. Bonds6

About 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid

3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190641) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID119190641
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H25N3O3/c1-10(2)9-18(7-6-13(19)20)14(21)11-8-12(17-16-11)15(3,4)5/h8,10H,6-7,9H2,1-5H3,(H,16,17)(H,19,20)
InChIKeyYHSMNHRBLCWRAD-UHFFFAOYSA-N
XLogP2.28
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid (CID 119190641) is 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is YHSMNHRBLCWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)9-18(7-6-13(19)20)14(21)11-8-12(17-16-11)15(3,4)5/h8,10H,6-7,9H2,1-5H3,(H,16,17)(H,19,20).
What are the key properties of 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).