1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide

C22H17FN4O2S — CID 29335265

IUPAC1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccc1F
InChIInChI=1S/C22H17FN4O2S/c1-14-17(13-24-27(14)19-9-3-2-8-18(19)23)21(28)25-15-6-4-7-16(12-15)26-22(29)20-10-5-11-30-20/h2-13H,1H3,(H,25,28)(H,26,29)
InChIKeyAVZSUPVRRNCXEL-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.89
Rot. Bonds5

About 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide (PubChem CID 29335265) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
PubChem CID29335265
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccc1F
InChIInChI=1S/C22H17FN4O2S/c1-14-17(13-24-27(14)19-9-3-2-8-18(19)23)21(28)25-15-6-4-7-16(12-15)26-22(29)20-10-5-11-30-20/h2-13H,1H3,(H,25,28)(H,26,29)
InChIKeyAVZSUPVRRNCXEL-UHFFFAOYSA-N
XLogP4.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide (CID 29335265) is 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide?
The InChIKey is AVZSUPVRRNCXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-14-17(13-24-27(14)19-9-3-2-8-18(19)23)21(28)25-15-6-4-7-16(12-15)26-22(29)20-10-5-11-30-20/h2-13H,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 29335265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).