1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid

C17H26FN3O3 — CID 119258010

IUPAC1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C17H26FN3O3/c1-11(2)9-21-13(4)14(12(3)19-21)5-6-15(22)20-8-7-17(18,10-20)16(23)24/h11H,5-10H2,1-4H3,(H,23,24)
InChIKeyUFFJYDKXXWOXRL-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.11
Rot. Bonds6

About 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258010) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258010
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Name1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C17H26FN3O3/c1-11(2)9-21-13(4)14(12(3)19-21)5-6-15(22)20-8-7-17(18,10-20)16(23)24/h11H,5-10H2,1-4H3,(H,23,24)
InChIKeyUFFJYDKXXWOXRL-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119258010) is 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid is Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is UFFJYDKXXWOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-11(2)9-21-13(4)14(12(3)19-21)5-6-15(22)20-8-7-17(18,10-20)16(23)24/h11H,5-10H2,1-4H3,(H,23,24).
What are the key properties of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 339.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).