5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide

C14H16FN3O2 — CID 86981435

IUPAC5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCOc2cccc(F)c2)n[nH]1
InChIInChI=1S/C14H16FN3O2/c1-2-11-9-13(18-17-11)14(19)16-6-7-20-12-5-3-4-10(15)8-12/h3-5,8-9H,2,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyISRWZKACVXBGCF-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.92
Rot. Bonds6

About 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 86981435) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID86981435
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCOc2cccc(F)c2)n[nH]1
InChIInChI=1S/C14H16FN3O2/c1-2-11-9-13(18-17-11)14(19)16-6-7-20-12-5-3-4-10(15)8-12/h3-5,8-9H,2,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyISRWZKACVXBGCF-UHFFFAOYSA-N
XLogP1.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829300
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 56757658
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide (CID 86981435) is 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCCOc2cccc(F)c2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ISRWZKACVXBGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-11-9-13(18-17-11)14(19)16-6-7-20-12-5-3-4-10(15)8-12/h3-5,8-9H,2,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86981435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).