N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide

C22H19N3O2S — CID 19490888

IUPACN-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(COc2ccccc2)cs1
InChIInChI=1S/C22H19N3O2S/c26-22(21-11-18(16-28-21)15-27-20-9-5-2-6-10-20)24-19-12-23-25(14-19)13-17-7-3-1-4-8-17/h1-12,14,16H,13,15H2,(H,24,26)
InChIKeyCQSUKKUNXCXXFZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.82
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide

N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide (PubChem CID 19490888) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
PubChem CID19490888
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(COc2ccccc2)cs1
InChIInChI=1S/C22H19N3O2S/c26-22(21-11-18(16-28-21)15-27-20-9-5-2-6-10-20)24-19-12-23-25(14-19)13-17-7-3-1-4-8-17/h1-12,14,16H,13,15H2,(H,24,26)
InChIKeyCQSUKKUNXCXXFZ-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505434
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503406
N-(1-benzylpyrazol-4-yl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495262
N-(1-benzylpyrazol-4-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471631
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503362
4-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19505306
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491
4-[(4-chlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503285
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493100
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486529
4-[(4-chlorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19503442
4-[(3-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19493164

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide (CID 19490888) is N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(COc2ccccc2)cs1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The InChIKey is CQSUKKUNXCXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-22(21-11-18(16-28-21)15-27-20-9-5-2-6-10-20)24-19-12-23-25(14-19)13-17-7-3-1-4-8-17/h1-12,14,16H,13,15H2,(H,24,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19490888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).