N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide

C14H16FN3O — CID 134048647

IUPACN-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide
SMILESCCN(C(=O)C(C)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-17(13-7-5-12(15)6-8-13)14(19)11(2)18-10-4-9-16-18/h4-11H,3H2,1-2H3
InChIKeyXXWHEXJNCSDQIH-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.64
Rot. Bonds4

About N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide

N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 134048647) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide
PubChem CID134048647
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide
SMILESCCN(C(=O)C(C)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-17(13-7-5-12(15)6-8-13)14(19)11(2)18-10-4-9-16-18/h4-11H,3H2,1-2H3
InChIKeyXXWHEXJNCSDQIH-UHFFFAOYSA-N
XLogP2.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 762228
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
2-(4-Bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4777062
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
1-(2-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791424
1-(4-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791750
[4-(4-Fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanone
CID 1220811
N-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 1509154
1-[1-(1H-pyrazol-1-ylacetyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24790762
N-(3,4-difluorophenyl)-1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinamine
CID 24793309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide (CID 134048647) is N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide is CCN(C(=O)C(C)n1cccn1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is XXWHEXJNCSDQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-17(13-7-5-12(15)6-8-13)14(19)11(2)18-10-4-9-16-18/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide?
N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 261.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).