methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate

C14H22N4O3 — CID 62026166

IUPACmethyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H22N4O3/c1-10(2)18-12(6-7-15-18)16-13(19)9-17-8-4-5-11(17)14(20)21-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyPFEVGYBWMKTBOJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.04
Rot. Bonds5

About methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate

methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate (PubChem CID 62026166) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
PubChem CID62026166
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Namemethyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H22N4O3/c1-10(2)18-12(6-7-15-18)16-13(19)9-17-8-4-5-11(17)14(20)21-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyPFEVGYBWMKTBOJ-UHFFFAOYSA-N
XLogP1.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
CID 43441242
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 81491148
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025965
(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910318
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205498
3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 47048221

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate (CID 62026166) is methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The InChIKey is PFEVGYBWMKTBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)18-12(6-7-15-18)16-13(19)9-17-8-4-5-11(17)14(20)21-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62026166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).