1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid

C19H25N3O2 — CID 146144702

IUPAC1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)n1nccc1CN1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-18(2,3)22-16(9-11-20-22)13-21-12-10-19(14-21,17(23)24)15-7-5-4-6-8-15/h4-9,11H,10,12-14H2,1-3H3,(H,23,24)
InChIKeyFHLDDBKJIPHXOD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.87
Rot. Bonds4

About 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid

1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid (PubChem CID 146144702) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
PubChem CID146144702
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)n1nccc1CN1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-18(2,3)22-16(9-11-20-22)13-21-12-10-19(14-21,17(23)24)15-7-5-4-6-8-15/h4-9,11H,10,12-14H2,1-3H3,(H,23,24)
InChIKeyFHLDDBKJIPHXOD-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid (CID 146144702) is 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid is CC(C)(C)n1nccc1CN1CCC(C(=O)O)(c2ccccc2)C1.
What is the InChIKey of 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is FHLDDBKJIPHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-18(2,3)22-16(9-11-20-22)13-21-12-10-19(14-21,17(23)24)15-7-5-4-6-8-15/h4-9,11H,10,12-14H2,1-3H3,(H,23,24).
What are the key properties of 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 327.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 146144702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).