N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H12F5N3O2 — CID 110006390

IUPACN-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)c(C(F)(F)F)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F5N3O2/c15-9-1-2-11(10(16)5-9)20-12(24)7-22-6-8(3-4-23)13(21-22)14(17,18)19/h1-2,5-6,23H,3-4,7H2,(H,20,24)
InChIKeySMTCKIHEKRDPCU-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.35
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 110006390) has the molecular formula C14H12F5N3O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID110006390
Molecular FormulaC14H12F5N3O2
Molecular Weight349.26 g/mol
Exact Mass349.08
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)c(C(F)(F)F)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F5N3O2/c15-9-1-2-11(10(16)5-9)20-12(24)7-22-6-8(3-4-23)13(21-22)14(17,18)19/h1-2,5-6,23H,3-4,7H2,(H,20,24)
InChIKeySMTCKIHEKRDPCU-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 110006368
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400
2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110019055
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 9420821
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-difluorophenyl)acetamide
CID 62815111
N-(2,4-difluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368513
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 110006390) is N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1cc(CCO)c(C(F)(F)F)n1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SMTCKIHEKRDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5N3O2/c15-9-1-2-11(10(16)5-9)20-12(24)7-22-6-8(3-4-23)13(21-22)14(17,18)19/h1-2,5-6,23H,3-4,7H2,(H,20,24).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 349.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 110006390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).