N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide

C12H21N3O2 — CID 156637728

IUPACN-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cc(OC)n(CC)n1)C(C)=O
InChIInChI=1S/C12H21N3O2/c1-5-7-14(10(3)16)9-11-8-12(17-4)15(6-2)13-11/h8H,5-7,9H2,1-4H3
InChIKeyIRLMLDGKMANKHZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.67
Rot. Bonds6

About N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide

N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide (PubChem CID 156637728) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide
PubChem CID156637728
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cc(OC)n(CC)n1)C(C)=O
InChIInChI=1S/C12H21N3O2/c1-5-7-14(10(3)16)9-11-8-12(17-4)15(6-2)13-11/h8H,5-7,9H2,1-4H3
InChIKeyIRLMLDGKMANKHZ-UHFFFAOYSA-N
XLogP1.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide?
The IUPAC name of N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide (CID 156637728) is N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide.
What is the SMILES notation for N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide?
The canonical SMILES for N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide is CCCN(Cc1cc(OC)n(CC)n1)C(C)=O.
What is the InChIKey of N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide?
The InChIKey is IRLMLDGKMANKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-7-14(10(3)16)9-11-8-12(17-4)15(6-2)13-11/h8H,5-7,9H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide?
N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide has a molecular weight of 239.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide is sourced from PubChem (CID 156637728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).