N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide

C11H19N3O2 — CID 45097881

IUPACN-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(CC)C(=O)c1cn(C)nc1OC
InChIInChI=1S/C11H19N3O2/c1-5-7-14(6-2)11(15)9-8-13(3)12-10(9)16-4/h8H,5-7H2,1-4H3
InChIKeyVGRUIIKCBCNYBD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.30
Rot. Bonds5

About N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide

N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide (PubChem CID 45097881) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide
PubChem CID45097881
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(CC)C(=O)c1cn(C)nc1OC
InChIInChI=1S/C11H19N3O2/c1-5-7-14(6-2)11(15)9-8-13(3)12-10(9)16-4/h8H,5-7H2,1-4H3
InChIKeyVGRUIIKCBCNYBD-UHFFFAOYSA-N
XLogP1.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide (CID 45097881) is N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide is CCCN(CC)C(=O)c1cn(C)nc1OC.
What is the InChIKey of N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide?
The InChIKey is VGRUIIKCBCNYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-7-14(6-2)11(15)9-8-13(3)12-10(9)16-4/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide?
N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-methyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 45097881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).