1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide

C27H27FN4O2S — CID 24979276

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C27H27FN4O2S/c1-19-4-6-20(7-5-19)26-23(18-32(30-26)22-10-8-21(28)9-11-22)27(33)29-17-24(25-3-2-16-35-25)31-12-14-34-15-13-31/h2-11,16,18,24H,12-15,17H2,1H3,(H,29,33)
InChIKeyVVFFEGIMGDBUJZ-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.85
Rot. Bonds7

About 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 24979276) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide
PubChem CID24979276
Molecular FormulaC27H27FN4O2S
Molecular Weight490.60 g/mol
Exact Mass490.18
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C27H27FN4O2S/c1-19-4-6-20(7-5-19)26-23(18-32(30-26)22-10-8-21(28)9-11-22)27(33)29-17-24(25-3-2-16-35-25)31-12-14-34-15-13-31/h2-11,16,18,24H,12-15,17H2,1H3,(H,29,33)
InChIKeyVVFFEGIMGDBUJZ-UHFFFAOYSA-N
XLogP4.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide (CID 24979276) is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is VVFFEGIMGDBUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-19-4-6-20(7-5-19)26-23(18-32(30-26)22-10-8-21(28)9-11-22)27(33)29-17-24(25-3-2-16-35-25)31-12-14-34-15-13-31/h2-11,16,18,24H,12-15,17H2,1H3,(H,29,33).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24979276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).