N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide

C14H17N3O2 — CID 2764678

IUPACN-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide
SMILESCCNC(=O)n1nccc1C(C)Oc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-3-15-14(18)17-13(9-10-16-17)11(2)19-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,15,18)
InChIKeyWFUADBQGTIVVJE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide

N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide (PubChem CID 2764678) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide
PubChem CID2764678
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide
SMILESCCNC(=O)n1nccc1C(C)Oc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-3-15-14(18)17-13(9-10-16-17)11(2)19-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,15,18)
InChIKeyWFUADBQGTIVVJE-UHFFFAOYSA-N
XLogP2.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide?
The IUPAC name of N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide (CID 2764678) is N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide is CCNC(=O)n1nccc1C(C)Oc1ccccc1.
What is the InChIKey of N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide?
The InChIKey is WFUADBQGTIVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-14(18)17-13(9-10-16-17)11(2)19-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide?
N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1-phenoxyethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 2764678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).