1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H14F3N3O2 — CID 63709648

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCn1cc(CN2CCC(C(=O)O)(C(F)(F)F)C2)cn1
InChIInChI=1S/C11H14F3N3O2/c1-16-5-8(4-15-16)6-17-3-2-10(7-17,9(18)19)11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H,18,19)
InChIKeySDKBGONFKZJDSY-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.26
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709648) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709648
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCn1cc(CN2CCC(C(=O)O)(C(F)(F)F)C2)cn1
InChIInChI=1S/C11H14F3N3O2/c1-16-5-8(4-15-16)6-17-3-2-10(7-17,9(18)19)11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H,18,19)
InChIKeySDKBGONFKZJDSY-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709648) is 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cn1cc(CN2CCC(C(=O)O)(C(F)(F)F)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SDKBGONFKZJDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-16-5-8(4-15-16)6-17-3-2-10(7-17,9(18)19)11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).