N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C25H19F3N4O2S — CID 16606177

IUPACN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C25H19F3N4O2S/c26-25(27,28)18-13-16(29-23(33)15-8-9-15)10-11-19(18)30-24(34)21-14-20(22-7-4-12-35-22)31-32(21)17-5-2-1-3-6-17/h1-7,10-15H,8-9H2,(H,29,33)(H,30,34)
InChIKeyCRXOFFGHFCGZAF-UHFFFAOYSA-N
MW496.51 g/mol
LogP6.22
Rot. Bonds6

About N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 16606177) has the molecular formula C25H19F3N4O2S and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID16606177
Molecular FormulaC25H19F3N4O2S
Molecular Weight496.51 g/mol
Exact Mass496.12
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C25H19F3N4O2S/c26-25(27,28)18-13-16(29-23(33)15-8-9-15)10-11-19(18)30-24(34)21-14-20(22-7-4-12-35-22)31-32(21)17-5-2-1-3-6-17/h1-7,10-15H,8-9H2,(H,29,33)(H,30,34)
InChIKeyCRXOFFGHFCGZAF-UHFFFAOYSA-N
XLogP6.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
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(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 16606177) is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is CRXOFFGHFCGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2S/c26-25(27,28)18-13-16(29-23(33)15-8-9-15)10-11-19(18)30-24(34)21-14-20(22-7-4-12-35-22)31-32(21)17-5-2-1-3-6-17/h1-7,10-15H,8-9H2,(H,29,33)(H,30,34).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 16606177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).