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

C10H15N3O2 — CID 61494666

IUPAC1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCn1cccn1
InChIInChI=1S/C10H15N3O2/c14-10(15)9-3-1-5-12(9)7-8-13-6-2-4-11-13/h2,4,6,9H,1,3,5,7-8H2,(H,14,15)
InChIKeyQBWVXVABNDTPNV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.43
Rot. Bonds4

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

1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 61494666) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID61494666
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCn1cccn1
InChIInChI=1S/C10H15N3O2/c14-10(15)9-3-1-5-12(9)7-8-13-6-2-4-11-13/h2,4,6,9H,1,3,5,7-8H2,(H,14,15)
InChIKeyQBWVXVABNDTPNV-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate
CID 112581379
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-[(2S)-2-[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 97025089
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598
N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 119928529
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid (CID 61494666) is 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCn1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QBWVXVABNDTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)9-3-1-5-12(9)7-8-13-6-2-4-11-13/h2,4,6,9H,1,3,5,7-8H2,(H,14,15).
What are the key properties of 1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid?
1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.43, 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)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61494666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).