3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid

C15H23N3O3 — CID 120522827

IUPAC3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
SMILESCC(C)Cn1ncc(C(=O)NC(C)CC(=O)O)c1C1CC1
InChIInChI=1S/C15H23N3O3/c1-9(2)8-18-14(11-4-5-11)12(7-16-18)15(21)17-10(3)6-13(19)20/h7,9-11H,4-6,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyNUUKXGUZELTBAJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.01
Rot. Bonds7

About 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid

3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid (PubChem CID 120522827) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
PubChem CID120522827
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
SMILESCC(C)Cn1ncc(C(=O)NC(C)CC(=O)O)c1C1CC1
InChIInChI=1S/C15H23N3O3/c1-9(2)8-18-14(11-4-5-11)12(7-16-18)15(21)17-10(3)6-13(19)20/h7,9-11H,4-6,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyNUUKXGUZELTBAJ-UHFFFAOYSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid (CID 120522827) is 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid is CC(C)Cn1ncc(C(=O)NC(C)CC(=O)O)c1C1CC1.
What is the InChIKey of 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid?
The InChIKey is NUUKXGUZELTBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)8-18-14(11-4-5-11)12(7-16-18)15(21)17-10(3)6-13(19)20/h7,9-11H,4-6,8H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid?
3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120522827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).