2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide

C18H19F3N4O2 — CID 167863574

IUPAC2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
SMILESO=C1CC(CC(=O)Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CCCN1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-10-14(24-25-15)12-3-5-13(6-4-12)23-17(27)9-11-2-1-7-22-16(26)8-11/h3-6,10-11H,1-2,7-9H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyRJGOKFWORBMCNV-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide

2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide (PubChem CID 167863574) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
PubChem CID167863574
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
SMILESO=C1CC(CC(=O)Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CCCN1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-10-14(24-25-15)12-3-5-13(6-4-12)23-17(27)9-11-2-1-7-22-16(26)8-11/h3-6,10-11H,1-2,7-9H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyRJGOKFWORBMCNV-UHFFFAOYSA-N
XLogP3.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
CID 167873572
4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
CID 155903294
3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167975582
N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
CID 166315665
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089
N-[4-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366016
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-cycloheptylacetamide;hydrochloride
CID 120566812
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide (CID 167863574) is 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide is O=C1CC(CC(=O)Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CCCN1.
What is the InChIKey of 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
The InChIKey is RJGOKFWORBMCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)15-10-14(24-25-15)12-3-5-13(6-4-12)23-17(27)9-11-2-1-7-22-16(26)8-11/h3-6,10-11H,1-2,7-9H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide?
2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 167863574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).