(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C14H21N3O3 — CID 78922034

IUPAC(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-17-12(8-10(15-17)9(2)3)13(18)16-7-5-6-11(16)14(19)20/h8-9,11H,4-7H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyHOEUDYMHVKFROV-LLVKDONJSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds4

About (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922034) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78922034
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-17-12(8-10(15-17)9(2)3)13(18)16-7-5-6-11(16)14(19)20/h8-9,11H,4-7H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyHOEUDYMHVKFROV-LLVKDONJSA-N
XLogP1.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775084
(2S,4S)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713321
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56902239
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722049
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
CID 99123476
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 92589714
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 120514933
1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77113104

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 78922034) is (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid is CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HOEUDYMHVKFROV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17-12(8-10(15-17)9(2)3)13(18)16-7-5-6-11(16)14(19)20/h8-9,11H,4-7H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).