2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid

C14H21N3O3 — CID 120523713

IUPAC2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCC(C)Cn1ncc(C(=O)NC(C)C(=O)O)c1C1CC1
InChIInChI=1S/C14H21N3O3/c1-8(2)7-17-12(10-4-5-10)11(6-15-17)13(18)16-9(3)14(19)20/h6,8-10H,4-5,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyAPAHEDQXWYABIG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.62
Rot. Bonds6

About 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid

2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 120523713) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
PubChem CID120523713
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCC(C)Cn1ncc(C(=O)NC(C)C(=O)O)c1C1CC1
InChIInChI=1S/C14H21N3O3/c1-8(2)7-17-12(10-4-5-10)11(6-15-17)13(18)16-9(3)14(19)20/h6,8-10H,4-5,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyAPAHEDQXWYABIG-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid (CID 120523713) is 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid is CC(C)Cn1ncc(C(=O)NC(C)C(=O)O)c1C1CC1.
What is the InChIKey of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is APAHEDQXWYABIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)7-17-12(10-4-5-10)11(6-15-17)13(18)16-9(3)14(19)20/h6,8-10H,4-5,7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid?
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120523713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).