1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H14F3N3O2 — CID 63710360

IUPAC1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(CCn2cccn2)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)10(9(18)19)2-5-16(8-10)6-7-17-4-1-3-15-17/h1,3-4H,2,5-8H2,(H,18,19)
InChIKeyVMBSXNKZIHPRJM-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.22
Rot. Bonds4

About 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710360) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710360
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(CCn2cccn2)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)10(9(18)19)2-5-16(8-10)6-7-17-4-1-3-15-17/h1,3-4H,2,5-8H2,(H,18,19)
InChIKeyVMBSXNKZIHPRJM-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrazol-1-ylmethyl)cyclopropanecarboxylic acid
CID 37134560
4,4-difluoro-3-(1H-pyrazol-1-yl)butanoic acid
CID 121435652
5,5,5-Trifluoro-4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
CID 166663549
3-Methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 63146433
1-(2-Pyrazol-1-ylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708349
1-[(1-Ethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709096
1-(3-Pyrazol-1-ylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709414
1-[(1-Methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709648
1-(2-Pyrazol-1-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63711039
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64770797
1-[[1-(2-Hydroxyethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060765
1-[(2-Methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061262

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710360) is 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(CCn2cccn2)C1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VMBSXNKZIHPRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)10(9(18)19)2-5-16(8-10)6-7-17-4-1-3-15-17/h1,3-4H,2,5-8H2,(H,18,19).
What are the key properties of 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).