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

C14H21N3O2 — CID 64783654

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(C3CCCC3)n2)CCNC1
InChIInChI=1S/C14H21N3O2/c18-13(19)14(6-7-15-10-14)9-11-5-8-17(16-11)12-3-1-2-4-12/h5,8,12,15H,1-4,6-7,9-10H2,(H,18,19)
InChIKeyYYZKQFWULMAFJJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds4

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

3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 64783654) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID64783654
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(C3CCCC3)n2)CCNC1
InChIInChI=1S/C14H21N3O2/c18-13(19)14(6-7-15-10-14)9-11-5-8-17(16-11)12-3-1-2-4-12/h5,8,12,15H,1-4,6-7,9-10H2,(H,18,19)
InChIKeyYYZKQFWULMAFJJ-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79425515
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569543
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-cyclopentyl-3-[(3-phenylazetidin-3-yl)methyl]pyrazole
CID 79451339
1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601079
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568445
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 64783654) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1(Cc2ccn(C3CCCC3)n2)CCNC1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YYZKQFWULMAFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(19)14(6-7-15-10-14)9-11-5-8-17(16-11)12-3-1-2-4-12/h5,8,12,15H,1-4,6-7,9-10H2,(H,18,19).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64783654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).