2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide

C28H26FN3O2 — CID 139582085

IUPAC2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC2C(=O)Nc2ccc(C)cc2)cc1F
InChIInChI=1S/C28H26FN3O2/c1-3-34-26-14-11-19(15-25(26)29)27-24(17-32(31-27)21-7-5-4-6-8-21)22-16-23(22)28(33)30-20-12-9-18(2)10-13-20/h4-15,17,22-23H,3,16H2,1-2H3,(H,30,33)
InChIKeyYFCYKNHHDKTWDB-UHFFFAOYSA-N
MW455.53 g/mol
LogP6.13
Rot. Bonds7

About 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide

2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 139582085) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID139582085
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC Name2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC2C(=O)Nc2ccc(C)cc2)cc1F
InChIInChI=1S/C28H26FN3O2/c1-3-34-26-14-11-19(15-25(26)29)27-24(17-32(31-27)21-7-5-4-6-8-21)22-16-23(22)28(33)30-20-12-9-18(2)10-13-20/h4-15,17,22-23H,3,16H2,1-2H3,(H,30,33)
InChIKeyYFCYKNHHDKTWDB-UHFFFAOYSA-N
XLogP6.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195596
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CID 117671214
N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529422
methyl 6-methyl-2-oxo-4-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3297926
ethyl 6-methyl-2-oxo-4-{1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 5162855
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 70692158
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2339155
N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909187
4-fluoro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 70688464
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide (CID 139582085) is 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide is CCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC2C(=O)Nc2ccc(C)cc2)cc1F.
What is the InChIKey of 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is YFCYKNHHDKTWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2/c1-3-34-26-14-11-19(15-25(26)29)27-24(17-32(31-27)21-7-5-4-6-8-21)22-16-23(22)28(33)30-20-12-9-18(2)10-13-20/h4-15,17,22-23H,3,16H2,1-2H3,(H,30,33).
What are the key properties of 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide?
2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139582085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).