ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate

C16H26N4O6 — CID 154364504

IUPACethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate
SMILESCCOC(=O)C(O)CC(C)NC(=O)c1cc(C(=O)N(C)CCOC)[nH]n1
InChIInChI=1S/C16H26N4O6/c1-5-26-16(24)13(21)8-10(2)17-14(22)11-9-12(19-18-11)15(23)20(3)6-7-25-4/h9-10,13,21H,5-8H2,1-4H3,(H,17,22)(H,18,19)
InChIKeyDRVBEUBYMJOMQV-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.44
Rot. Bonds10

About ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate

ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate (PubChem CID 154364504) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate
PubChem CID154364504
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Nameethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate
SMILESCCOC(=O)C(O)CC(C)NC(=O)c1cc(C(=O)N(C)CCOC)[nH]n1
InChIInChI=1S/C16H26N4O6/c1-5-26-16(24)13(21)8-10(2)17-14(22)11-9-12(19-18-11)15(23)20(3)6-7-25-4/h9-10,13,21H,5-8H2,1-4H3,(H,17,22)(H,18,19)
InChIKeyDRVBEUBYMJOMQV-UHFFFAOYSA-N
XLogP-0.44
TPSA133.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate?
The IUPAC name of ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate (CID 154364504) is ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate.
What is the SMILES notation for ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate?
The canonical SMILES for ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate is CCOC(=O)C(O)CC(C)NC(=O)c1cc(C(=O)N(C)CCOC)[nH]n1.
What is the InChIKey of ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate?
The InChIKey is DRVBEUBYMJOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-5-26-16(24)13(21)8-10(2)17-14(22)11-9-12(19-18-11)15(23)20(3)6-7-25-4/h9-10,13,21H,5-8H2,1-4H3,(H,17,22)(H,18,19).
What are the key properties of ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate?
ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate has a molecular weight of 370.41 g/mol, XLogP of -0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-[[5-[2-methoxyethyl(methyl)carbamoyl]-1H-pyrazole-3-carbonyl]amino]pentanoate is sourced from PubChem (CID 154364504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).