ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate

C13H21N3O3 — CID 96539757

IUPACethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@H](C)N(C)C(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-6-19-13(18)10(4)15(5)12(17)11-7-8-16(14-11)9(2)3/h7-10H,6H2,1-5H3/t10-/m0/s1
InChIKeyCFTVDNVURWNZGB-JTQLQIEISA-N
MW267.33 g/mol
LogP1.49
Rot. Bonds5

About ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate

ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate (PubChem CID 96539757) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
PubChem CID96539757
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@H](C)N(C)C(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-6-19-13(18)10(4)15(5)12(17)11-7-8-16(14-11)9(2)3/h7-10H,6H2,1-5H3/t10-/m0/s1
InChIKeyCFTVDNVURWNZGB-JTQLQIEISA-N
XLogP1.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate (CID 96539757) is ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate is CCOC(=O)[C@H](C)N(C)C(=O)c1ccn(C(C)C)n1.
What is the InChIKey of ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate?
The InChIKey is CFTVDNVURWNZGB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-19-13(18)10(4)15(5)12(17)11-7-8-16(14-11)9(2)3/h7-10H,6H2,1-5H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate?
ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 96539757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).