1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C9H11N3O3 — CID 43565591

IUPAC1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C9H11N3O3/c13-8(6-4-10-11-5-6)12-3-1-2-7(12)9(14)15/h4-5,7H,1-3H2,(H,10,11)(H,14,15)
InChIKeyJJUIRTHOSBKXOX-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.10
Rot. Bonds2

About 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43565591) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43565591
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C9H11N3O3/c13-8(6-4-10-11-5-6)12-3-1-2-7(12)9(14)15/h4-5,7H,1-3H2,(H,10,11)(H,14,15)
InChIKeyJJUIRTHOSBKXOX-UHFFFAOYSA-N
XLogP0.10
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019766
(2S)-1-(1H-pyrazole-4-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768660
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1H-pyrazol-4-yl)methanone
CID 102679170
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
[(2S)-1-methylpyrrolidin-2-yl]-[4-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155496109
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 43565591) is 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JJUIRTHOSBKXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8(6-4-10-11-5-6)12-3-1-2-7(12)9(14)15/h4-5,7H,1-3H2,(H,10,11)(H,14,15).
What are the key properties of 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43565591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).