N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide

C14H17N3O2 — CID 1223944

IUPACN-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnn(CC)c1
InChIInChI=1S/C14H17N3O2/c1-3-17-10-11(9-15-17)14(18)16-12-7-5-6-8-13(12)19-4-2/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyFGPGYIMXAMACCT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.55
Rot. Bonds5

About N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide

N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 1223944) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide
PubChem CID1223944
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnn(CC)c1
InChIInChI=1S/C14H17N3O2/c1-3-17-10-11(9-15-17)14(18)16-12-7-5-6-8-13(12)19-4-2/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyFGPGYIMXAMACCT-UHFFFAOYSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide (CID 1223944) is N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide is CCOc1ccccc1NC(=O)c1cnn(CC)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is FGPGYIMXAMACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-17-10-11(9-15-17)14(18)16-12-7-5-6-8-13(12)19-4-2/h5-10H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide?
N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 1223944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).