2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid

C16H19N3O2 — CID 63919519

IUPAC2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid
SMILESCNC(Cn1cc(-c2ccccc2)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C16H19N3O2/c1-17-16(15(20)21,14-7-8-14)11-19-10-13(9-18-19)12-5-3-2-4-6-12/h2-6,9-10,14,17H,7-8,11H2,1H3,(H,20,21)
InChIKeyMKBYNZZTEBMVHQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.00
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid

2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid (PubChem CID 63919519) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid
PubChem CID63919519
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid
SMILESCNC(Cn1cc(-c2ccccc2)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C16H19N3O2/c1-17-16(15(20)21,14-7-8-14)11-19-10-13(9-18-19)12-5-3-2-4-6-12/h2-6,9-10,14,17H,7-8,11H2,1H3,(H,20,21)
InChIKeyMKBYNZZTEBMVHQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid (CID 63919519) is 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid is CNC(Cn1cc(-c2ccccc2)cn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid?
The InChIKey is MKBYNZZTEBMVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-16(15(20)21,14-7-8-14)11-19-10-13(9-18-19)12-5-3-2-4-6-12/h2-6,9-10,14,17H,7-8,11H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid?
2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 63919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).