N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H17F4N5O — CID 146132786

IUPACN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H17F4N5O/c1-12-10-16(18(20,21)22)25-27(12)11-17(28)23-8-6-14-7-9-26(24-14)15-4-2-13(19)3-5-15/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,28)
InChIKeyZIVZEPMEUPDUNL-UHFFFAOYSA-N
MW395.36 g/mol
LogP2.89
Rot. Bonds6

About N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 146132786) has the molecular formula C18H17F4N5O and a molecular weight of 395.36 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID146132786
Molecular FormulaC18H17F4N5O
Molecular Weight395.36 g/mol
Exact Mass395.14
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H17F4N5O/c1-12-10-16(18(20,21)22)25-27(12)11-17(28)23-8-6-14-7-9-26(24-14)15-4-2-13(19)3-5-15/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,28)
InChIKeyZIVZEPMEUPDUNL-UHFFFAOYSA-N
XLogP2.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519237
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519068
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 139003029
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519236
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119806208
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111516473
N-tert-butyl-2-[[ethylamino-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111518750

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 146132786) is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZIVZEPMEUPDUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N5O/c1-12-10-16(18(20,21)22)25-27(12)11-17(28)23-8-6-14-7-9-26(24-14)15-4-2-13(19)3-5-15/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,28).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 395.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 146132786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).