N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide

C19H27N3O2 — CID 50959714

IUPACN-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)CCOc2ccccc2CC)n(C)n1
InChIInChI=1S/C19H27N3O2/c1-5-9-16-14-17(22(4)20-16)19(23)21(3)12-13-24-18-11-8-7-10-15(18)6-2/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3
InChIKeyYFDHMIJIGXFJRU-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.09
Rot. Bonds8

About N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide

N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide (PubChem CID 50959714) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
PubChem CID50959714
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)CCOc2ccccc2CC)n(C)n1
InChIInChI=1S/C19H27N3O2/c1-5-9-16-14-17(22(4)20-16)19(23)21(3)12-13-24-18-11-8-7-10-15(18)6-2/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3
InChIKeyYFDHMIJIGXFJRU-UHFFFAOYSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide (CID 50959714) is N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N(C)CCOc2ccccc2CC)n(C)n1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The InChIKey is YFDHMIJIGXFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-9-16-14-17(22(4)20-16)19(23)21(3)12-13-24-18-11-8-7-10-15(18)6-2/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 50959714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).