N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide

C19H21N3O2S — CID 19490881

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCCn1ncc(CNC(=O)c2cc(COc3ccccc3)cs2)c1C
InChIInChI=1S/C19H21N3O2S/c1-3-22-14(2)16(11-21-22)10-20-19(23)18-9-15(13-25-18)12-24-17-7-5-4-6-8-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,20,23)
InChIKeyYVUQSNPLCQYQPT-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.78
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide (PubChem CID 19490881) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
PubChem CID19490881
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCCn1ncc(CNC(=O)c2cc(COc3ccccc3)cs2)c1C
InChIInChI=1S/C19H21N3O2S/c1-3-22-14(2)16(11-21-22)10-20-19(23)18-9-15(13-25-18)12-24-17-7-5-4-6-8-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,20,23)
InChIKeyYVUQSNPLCQYQPT-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491112
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469562
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503188
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19491036
N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490888
4-[(3,5-dimethylphenoxy)methyl]-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19505564
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19290457
4-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471628
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide (CID 19490881) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide is CCn1ncc(CNC(=O)c2cc(COc3ccccc3)cs2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The InChIKey is YVUQSNPLCQYQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-22-14(2)16(11-21-22)10-20-19(23)18-9-15(13-25-18)12-24-17-7-5-4-6-8-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19490881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).