N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide

C19H19N3O2S — CID 170190884

IUPACN-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnn(Cc3ccccc3)c2)sc1COC
InChIInChI=1S/C19H19N3O2S/c1-3-19(23)21-16-9-17(25-18(16)13-24-2)15-10-20-22(12-15)11-14-7-5-4-6-8-14/h3-10,12H,1,11,13H2,2H3,(H,21,23)
InChIKeyQSLLPAJAYSMIHL-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.93
Rot. Bonds7

About N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide

N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide (PubChem CID 170190884) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide
PubChem CID170190884
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnn(Cc3ccccc3)c2)sc1COC
InChIInChI=1S/C19H19N3O2S/c1-3-19(23)21-16-9-17(25-18(16)13-24-2)15-10-20-22(12-15)11-14-7-5-4-6-8-14/h3-10,12H,1,11,13H2,2H3,(H,21,23)
InChIKeyQSLLPAJAYSMIHL-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(1-benzylpyrazol-4-yl)-5-chlorothiophene-2-carboxylate
CID 68761823
5-(1-benzylpyrazol-4-yl)-4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]-1-methylpyridin-2-one
CID 146627596
methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate
CID 83765807
methyl 5-(1-benzyl-3-prop-2-enylpyrazol-4-yl)-4-methylthiophene-2-carboxylate
CID 68761878
N-[3-[[7-(1-benzylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]phenyl]prop-2-enamide
CID 118641570
(E)-3-(1-benzylpyrazol-4-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 9073393
N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide
CID 170699202
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
3-[[4-[4-amino-6-[3-(prop-2-enoylamino)phenoxy]pyrimidin-5-yl]pyrazol-1-yl]methyl]benzoic acid
CID 123706835
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide?
The IUPAC name of N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide (CID 170190884) is N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide?
The canonical SMILES for N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cnn(Cc3ccccc3)c2)sc1COC.
What is the InChIKey of N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide?
The InChIKey is QSLLPAJAYSMIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-19(23)21-16-9-17(25-18(16)13-24-2)15-10-20-22(12-15)11-14-7-5-4-6-8-14/h3-10,12H,1,11,13H2,2H3,(H,21,23).
What are the key properties of N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide?
N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide has a molecular weight of 353.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzylpyrazol-4-yl)-2-(methoxymethyl)thiophen-3-yl]prop-2-enamide is sourced from PubChem (CID 170190884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).