N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C19H18FN3O — CID 110685957

IUPACN-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)n(-c2ccccc2)n1
InChIInChI=1S/C19H18FN3O/c1-14-13-18(23(22-14)16-8-3-2-4-9-16)19(24)21-12-11-15-7-5-6-10-17(15)20/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyQRPYAFIFYXVRRP-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 110685957) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID110685957
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)n(-c2ccccc2)n1
InChIInChI=1S/C19H18FN3O/c1-14-13-18(23(22-14)16-8-3-2-4-9-16)19(24)21-12-11-15-7-5-6-10-17(15)20/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyQRPYAFIFYXVRRP-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
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CID 20861285
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
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CID 4218340
N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861310
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 166371653
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 110685957) is N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2ccccc2F)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is QRPYAFIFYXVRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14-13-18(23(22-14)16-8-3-2-4-9-16)19(24)21-12-11-15-7-5-6-10-17(15)20/h2-10,13H,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.29, 5 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]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110685957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).