N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C14H14F3N3O3S — CID 67315430

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2ccc(C(=O)C(F)(F)F)s2)[nH]n1
InChIInChI=1S/C14H14F3N3O3S/c1-20(6-8-5-9(7-23-2)19-18-8)13(22)11-4-3-10(24-11)12(21)14(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,19)
InChIKeyJSUBERWKDOWQGB-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.63
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315430) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315430
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2ccc(C(=O)C(F)(F)F)s2)[nH]n1
InChIInChI=1S/C14H14F3N3O3S/c1-20(6-8-5-9(7-23-2)19-18-8)13(22)11-4-3-10(24-11)12(21)14(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,19)
InChIKeyJSUBERWKDOWQGB-UHFFFAOYSA-N
XLogP2.63
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(5-methyl-2-thienyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 74239330
5-(1-cyclopentyl-2-pyrrolidinyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-thiophenecarboxamide
CID 45215067
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044711
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044715
N-{2-[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 46990475
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55563080
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-5-(tetrahydro-2-furanyl)-2-thiophenecarboxamide
CID 72912183
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 72940175
2-(5-acetyl-3-thienyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methylacetamide
CID 74239049
5-{[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]carbonyl}thiophene-2-carboxylic acid
CID 74250628
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97143183
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97143184

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315430) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is COCc1cc(CN(C)C(=O)c2ccc(C(=O)C(F)(F)F)s2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is JSUBERWKDOWQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-20(6-8-5-9(7-23-2)19-18-8)13(22)11-4-3-10(24-11)12(21)14(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).