5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide

C14H16FN3O — CID 72930885

IUPAC5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCc1[nH]ncc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c1-2-13-11(9-17-18-13)14(19)16-8-7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyXUAJYLHEGCBXJL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.08
Rot. Bonds5

About 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide

5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 72930885) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID72930885
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCc1[nH]ncc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c1-2-13-11(9-17-18-13)14(19)16-8-7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyXUAJYLHEGCBXJL-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
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5-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
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N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 72930885) is 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide is CCc1[nH]ncc1C(=O)NCCc1ccccc1F.
What is the InChIKey of 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XUAJYLHEGCBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-13-11(9-17-18-13)14(19)16-8-7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72930885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).