N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide

C10H17N3O2 — CID 176998259

IUPACN-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide
SMILESCCCOc1cc(C(=O)NCC)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-6-15-9-7-8(13(3)12-9)10(14)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyLFWJGEXRXUMJNE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds5

About N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide

N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide (PubChem CID 176998259) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide
PubChem CID176998259
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide
SMILESCCCOc1cc(C(=O)NCC)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-6-15-9-7-8(13(3)12-9)10(14)11-5-2/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyLFWJGEXRXUMJNE-UHFFFAOYSA-N
XLogP0.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide (CID 176998259) is N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide is CCCOc1cc(C(=O)NCC)n(C)n1.
What is the InChIKey of N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide?
The InChIKey is LFWJGEXRXUMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6-15-9-7-8(13(3)12-9)10(14)11-5-2/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide?
N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide is sourced from PubChem (CID 176998259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).