N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

C14H16FN3O — CID 110852445

IUPACN-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c1-10-12(9-18(2)17-10)14(19)16-8-7-11-5-3-4-6-13(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyXEIAEBHFOULRFC-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 110852445) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID110852445
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c1-10-12(9-18(2)17-10)14(19)16-8-7-11-5-3-4-6-13(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyXEIAEBHFOULRFC-UHFFFAOYSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 110852457
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 110121932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 110852445) is N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is XEIAEBHFOULRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-12(9-18(2)17-10)14(19)16-8-7-11-5-3-4-6-13(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).