methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate

C10H17N3O2 — CID 105465044

IUPACmethyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
SMILESCCc1c(C(=O)OC)nn(C(C)C)c1N
InChIInChI=1S/C10H17N3O2/c1-5-7-8(10(14)15-4)12-13(6(2)3)9(7)11/h6H,5,11H2,1-4H3
InChIKeyUCAKVPXAZMFHOD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.40
Rot. Bonds3

About methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate

methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate (PubChem CID 105465044) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
PubChem CID105465044
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
SMILESCCc1c(C(=O)OC)nn(C(C)C)c1N
InChIInChI=1S/C10H17N3O2/c1-5-7-8(10(14)15-4)12-13(6(2)3)9(7)11/h6H,5,11H2,1-4H3
InChIKeyUCAKVPXAZMFHOD-UHFFFAOYSA-N
XLogP1.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate (CID 105465044) is methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate is CCc1c(C(=O)OC)nn(C(C)C)c1N.
What is the InChIKey of methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate?
The InChIKey is UCAKVPXAZMFHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-7-8(10(14)15-4)12-13(6(2)3)9(7)11/h6H,5,11H2,1-4H3.
What are the key properties of methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate?
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 105465044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).