N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide

C17H19F4N3O — CID 167792453

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)C(C)C(F)(F)C(F)F)n1
InChIInChI=1S/C17H19F4N3O/c1-10-8-11(2)24(23-10)14-7-5-4-6-13(14)9-22-15(25)12(3)17(20,21)16(18)19/h4-8,12,16H,9H2,1-3H3,(H,22,25)
InChIKeySJDLUUVPNQPQGR-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.64
Rot. Bonds6

About N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide

N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide (PubChem CID 167792453) has the molecular formula C17H19F4N3O and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
PubChem CID167792453
Molecular FormulaC17H19F4N3O
Molecular Weight357.35 g/mol
Exact Mass357.15
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)C(C)C(F)(F)C(F)F)n1
InChIInChI=1S/C17H19F4N3O/c1-10-8-11(2)24(23-10)14-7-5-4-6-13(14)9-22-15(25)12(3)17(20,21)16(18)19/h4-8,12,16H,9H2,1-3H3,(H,22,25)
InChIKeySJDLUUVPNQPQGR-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166427563
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
1-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471567
2-(cyclopropylmethylamino)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119812822
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 75381169
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 171676342
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide (CID 167792453) is N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide is Cc1cc(C)n(-c2ccccc2CNC(=O)C(C)C(F)(F)C(F)F)n1.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide?
The InChIKey is SJDLUUVPNQPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O/c1-10-8-11(2)24(23-10)14-7-5-4-6-13(14)9-22-15(25)12(3)17(20,21)16(18)19/h4-8,12,16H,9H2,1-3H3,(H,22,25).
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide?
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide has a molecular weight of 357.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide is sourced from PubChem (CID 167792453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).