N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C22H17F2N3OS — CID 20886591

IUPACN-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C22H17F2N3OS/c23-17-9-7-15(8-10-17)14-27-20(12-19(26-27)21-6-3-11-29-21)22(28)25-13-16-4-1-2-5-18(16)24/h1-12H,13-14H2,(H,25,28)
InChIKeyBJHJOJQJTSBHJC-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.87
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 20886591) has the molecular formula C22H17F2N3OS and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID20886591
Molecular FormulaC22H17F2N3OS
Molecular Weight409.46 g/mol
Exact Mass409.11
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C22H17F2N3OS/c23-17-9-7-15(8-10-17)14-27-20(12-19(26-27)21-6-3-11-29-21)22(28)25-13-16-4-1-2-5-18(16)24/h1-12H,13-14H2,(H,25,28)
InChIKeyBJHJOJQJTSBHJC-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886604
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
2-[(4-fluorophenyl)methyl]-4-[(4-fluorophenyl)methylamino]-6-thiophen-2-ylpyridazin-3-one
CID 46951122
1-[(2-fluorophenyl)methyl]-3-nitro-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 5304445
3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
(6S)-5-[(2-fluorophenyl)methyl]-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062610
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
CID 42879207
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 20886591) is N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(NCc1ccccc1F)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is BJHJOJQJTSBHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3OS/c23-17-9-7-15(8-10-17)14-27-20(12-19(26-27)21-6-3-11-29-21)22(28)25-13-16-4-1-2-5-18(16)24/h1-12H,13-14H2,(H,25,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 20886591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).