2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide

C17H14ClF4N5O — CID 19518157

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClF4N5O/c18-11-3-1-2-10(6-11)8-26-5-4-14(25-26)23-15(28)9-27-13(17(21)22)7-12(24-27)16(19)20/h1-7,16-17H,8-9H2,(H,23,25,28)
InChIKeyFADYEEIKZIVYNH-UHFFFAOYSA-N
MW415.78 g/mol
LogP4.30
Rot. Bonds7

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19518157) has the molecular formula C17H14ClF4N5O and a molecular weight of 415.78 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19518157
Molecular FormulaC17H14ClF4N5O
Molecular Weight415.78 g/mol
Exact Mass415.08
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClF4N5O/c18-11-3-1-2-10(6-11)8-26-5-4-14(25-26)23-15(28)9-27-13(17(21)22)7-12(24-27)16(19)20/h1-7,16-17H,8-9H2,(H,23,25,28)
InChIKeyFADYEEIKZIVYNH-UHFFFAOYSA-N
XLogP4.30
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.78
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517990
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19516676
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19523573
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19530332
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520712
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19518175
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19518008
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532306
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19406942

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19518157) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccn(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is FADYEEIKZIVYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N5O/c18-11-3-1-2-10(6-11)8-26-5-4-14(25-26)23-15(28)9-27-13(17(21)22)7-12(24-27)16(19)20/h1-7,16-17H,8-9H2,(H,23,25,28).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 415.78 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19518157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).