N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide

C14H14F3N3O3S — CID 31853284

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O3S/c1-19(8-10-7-18-20(2)9-10)13(21)11-3-5-12(6-4-11)24(22,23)14(15,16)17/h3-7,9H,8H2,1-2H3
InChIKeyMYQZMJVRQKAPCV-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 31853284) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID31853284
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O3S/c1-19(8-10-7-18-20(2)9-10)13(21)11-3-5-12(6-4-11)24(22,23)14(15,16)17/h3-7,9H,8H2,1-2H3
InChIKeyMYQZMJVRQKAPCV-UHFFFAOYSA-N
XLogP1.99
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Methylpyrazol-4-yl)-1-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 24793192
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31844345
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 31846208
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
(3-Methylsulfonylphenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53551175
(2-Ethylsulfonylphenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53551188
(4-Methylsulfonylphenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53551194
(4-Methyl-3-methylsulfonylphenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53554203
[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 53625466
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}sulfonyl)benzamide
CID 70764346
N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]-4-[(propylamino)sulfonyl]benzamide
CID 70783230

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide (CID 31853284) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is MYQZMJVRQKAPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-19(8-10-7-18-20(2)9-10)13(21)11-3-5-12(6-4-11)24(22,23)14(15,16)17/h3-7,9H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 361.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 31853284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).