3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid

C18H21N3O3 — CID 122107208

IUPAC3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-16(23)10-11-19-18(24)15-12-20-21(14-8-4-5-9-14)17(15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,24)(H,22,23)
InChIKeyUNGYJVWVFXETJC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds6

About 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid

3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 122107208) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID122107208
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-16(23)10-11-19-18(24)15-12-20-21(14-8-4-5-9-14)17(15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,24)(H,22,23)
InChIKeyUNGYJVWVFXETJC-UHFFFAOYSA-N
XLogP2.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid (CID 122107208) is 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1.
What is the InChIKey of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is UNGYJVWVFXETJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16(23)10-11-19-18(24)15-12-20-21(14-8-4-5-9-14)17(15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,24)(H,22,23).
What are the key properties of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122107208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).