methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate

C19H19N3O3S — CID 19477585

IUPACmethyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H19N3O3S/c1-11-10-15(19(24)25-4)18(26-11)20-17(23)16-12(2)21-22(13(16)3)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,20,23)
InChIKeyRQZAZPUZYNQHJK-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.90
Rot. Bonds4

About methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate

methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 19477585) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID19477585
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Namemethyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H19N3O3S/c1-11-10-15(19(24)25-4)18(26-11)20-17(23)16-12(2)21-22(13(16)3)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,20,23)
InChIKeyRQZAZPUZYNQHJK-UHFFFAOYSA-N
XLogP3.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19279648
methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19476964
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
methyl 2-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19511808
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 24516156

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate (CID 19477585) is methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is RQZAZPUZYNQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-10-15(19(24)25-4)18(26-11)20-17(23)16-12(2)21-22(13(16)3)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,20,23).
What are the key properties of methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 19477585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).