(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 78993916

IUPAC(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6-7(5-11-12-6)9(14)13-4-2-3-8(13)10(15)16/h5,8H,2-4H2,1H3,(H,11,12)(H,15,16)/t8-/m1/s1
InChIKeyYHQXTJDZWUEVRH-MRVPVSSYSA-N
MW223.23 g/mol
LogP0.41
Rot. Bonds2

About (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78993916) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78993916
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-6-7(5-11-12-6)9(14)13-4-2-3-8(13)10(15)16/h5,8H,2-4H2,1H3,(H,11,12)(H,15,16)/t8-/m1/s1
InChIKeyYHQXTJDZWUEVRH-MRVPVSSYSA-N
XLogP0.41
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136462
(2R)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921302
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546267
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 62922896
1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43565591
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
4-(5-methyl-1H-pyrazole-4-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103633
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66334626

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 78993916) is (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1[nH]ncc1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YHQXTJDZWUEVRH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(5-11-12-6)9(14)13-4-2-3-8(13)10(15)16/h5,8H,2-4H2,1H3,(H,11,12)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78993916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).