N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide

C19H18FN3O2 — CID 27847993

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-25-17-13-23(15-8-3-2-4-9-15)22-18(17)19(24)21-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyAYNKLUQSPWZDTA-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 27847993) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID27847993
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-25-17-13-23(15-8-3-2-4-9-15)22-18(17)19(24)21-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyAYNKLUQSPWZDTA-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337
4-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 112798288
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9382521
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-1-phenylpyrazole-3-carboxamide
CID 47034464
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523396
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 27847993) is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is AYNKLUQSPWZDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-17-13-23(15-8-3-2-4-9-15)22-18(17)19(24)21-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 27847993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).