1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide

C19H18FN3O2 — CID 43071731

IUPAC1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O2/c1-13(16-5-3-4-6-18(16)25-2)21-19(24)17-11-12-23(22-17)15-9-7-14(20)8-10-15/h3-13H,1-2H3,(H,21,24)
InChIKeyCWNFLNDCNDTWFX-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 43071731) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID43071731
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O2/c1-13(16-5-3-4-6-18(16)25-2)21-19(24)17-11-12-23(22-17)15-9-7-14(20)8-10-15/h3-13H,1-2H3,(H,21,24)
InChIKeyCWNFLNDCNDTWFX-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884
N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 99811467
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 46438047
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 46429772
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55667928
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112820972
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide (CID 43071731) is 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide is COc1ccccc1C(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is CWNFLNDCNDTWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13(16-5-3-4-6-18(16)25-2)21-19(24)17-11-12-23(22-17)15-9-7-14(20)8-10-15/h3-13H,1-2H3,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 43071731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).