N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide

C19H21N3O2S — CID 19491112

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)NCc3cnn(C)c3C)c2)c1
InChIInChI=1S/C19H21N3O2S/c1-13-5-4-6-17(7-13)24-11-15-8-18(25-12-15)19(23)20-9-16-10-21-22(3)14(16)2/h4-8,10,12H,9,11H2,1-3H3,(H,20,23)
InChIKeyUPFWGAOYCFBVKQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.61
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19491112) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19491112
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)NCc3cnn(C)c3C)c2)c1
InChIInChI=1S/C19H21N3O2S/c1-13-5-4-6-17(7-13)24-11-15-8-18(25-12-15)19(23)20-9-16-10-21-22(3)14(16)2/h4-8,10,12H,9,11H2,1-3H3,(H,20,23)
InChIKeyUPFWGAOYCFBVKQ-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490881
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492909
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491228
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498704
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491233
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491225

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19491112) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1cccc(OCc2csc(C(=O)NCc3cnn(C)c3C)c2)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is UPFWGAOYCFBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-5-4-6-17(7-13)24-11-15-8-18(25-12-15)19(23)20-9-16-10-21-22(3)14(16)2/h4-8,10,12H,9,11H2,1-3H3,(H,20,23).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19491112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).