N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide

C18H21F3N4O2 — CID 87025428

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc2)n1
InChIInChI=1S/C18H21F3N4O2/c1-12-9-13(2)25(22-12)15-7-5-14(6-8-15)17(27)24(11-18(19,20)21)10-16(26)23(3)4/h5-9H,10-11H2,1-4H3
InChIKeyWFWYMBQLUQQEGR-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide

N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 87025428) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID87025428
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc2)n1
InChIInChI=1S/C18H21F3N4O2/c1-12-9-13(2)25(22-12)15-7-5-14(6-8-15)17(27)24(11-18(19,20)21)10-16(26)23(3)4/h5-9H,10-11H2,1-4H3
InChIKeyWFWYMBQLUQQEGR-UHFFFAOYSA-N
XLogP2.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60946492
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356858
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N-[2-(dimethylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 78882701
N-[(2S)-2,3-dihydroxypropyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 95121318
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
N-(cyclopropylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-propylbenzamide
CID 78785879
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 51102355
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 87025428) is N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WFWYMBQLUQQEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-12-9-13(2)25(22-12)15-7-5-14(6-8-15)17(27)24(11-18(19,20)21)10-16(26)23(3)4/h5-9H,10-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 382.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 87025428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).