methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate

C16H20N4O3S — CID 124887067

IUPACmethyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)n[nH]1
InChIInChI=1S/C16H20N4O3S/c1-4-10-8-11(19-18-10)15(21)20-7-5-6-12(20)14-17-13(9(2)24-14)16(22)23-3/h8,12H,4-7H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyJKNVSZLOQNGYLH-GFCCVEGCSA-N
MW348.43 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 124887067) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID124887067
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Namemethyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)n[nH]1
InChIInChI=1S/C16H20N4O3S/c1-4-10-8-11(19-18-10)15(21)20-7-5-6-12(20)14-17-13(9(2)24-14)16(22)23-3/h8,12H,4-7H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyJKNVSZLOQNGYLH-GFCCVEGCSA-N
XLogP2.50
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-2-[(2S)-1-[[(3S)-4-methylpent-1-yn-3-yl]carbamoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124885525
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
methyl 2-[(2S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 124886467
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216376
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxylate
CID 57496019
4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 91838642
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 42098177
(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120572020
methyl 5-methyl-2-[(2R)-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124888834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate (CID 124887067) is methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate is CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)n[nH]1.
What is the InChIKey of methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is JKNVSZLOQNGYLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-4-10-8-11(19-18-10)15(21)20-7-5-6-12(20)14-17-13(9(2)24-14)16(22)23-3/h8,12H,4-7H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 348.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-(5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 124887067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).