3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C15H17N3O2 — CID 79425515

IUPAC3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(-c3ccccc3)n2)CCNC1
InChIInChI=1S/C15H17N3O2/c19-14(20)15(7-8-16-11-15)10-12-6-9-18(17-12)13-4-2-1-3-5-13/h1-6,9,16H,7-8,10-11H2,(H,19,20)
InChIKeyCEWTVYGNZIUMIG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.48
Rot. Bonds4

About 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 79425515) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID79425515
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(-c3ccccc3)n2)CCNC1
InChIInChI=1S/C15H17N3O2/c19-14(20)15(7-8-16-11-15)10-12-6-9-18(17-12)13-4-2-1-3-5-13/h1-6,9,16H,7-8,10-11H2,(H,19,20)
InChIKeyCEWTVYGNZIUMIG-UHFFFAOYSA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 79425515) is 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1(Cc2ccn(-c3ccccc3)n2)CCNC1.
What is the InChIKey of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CEWTVYGNZIUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(20)15(7-8-16-11-15)10-12-6-9-18(17-12)13-4-2-1-3-5-13/h1-6,9,16H,7-8,10-11H2,(H,19,20).
What are the key properties of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79425515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).