[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine

C14H18N4OS2 — CID 105339621

IUPAC[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1cc2sccc2s1
InChIInChI=1S/C14H18N4OS2/c1-8(2)18-14(9(19-3)7-16-18)13(17-15)12-6-11-10(21-12)4-5-20-11/h4-8,13,17H,15H2,1-3H3
InChIKeyPGQICFGDMKOOQW-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.30
Rot. Bonds5

About [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine

[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine (PubChem CID 105339621) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
PubChem CID105339621
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1cc2sccc2s1
InChIInChI=1S/C14H18N4OS2/c1-8(2)18-14(9(19-3)7-16-18)13(17-15)12-6-11-10(21-12)4-5-20-11/h4-8,13,17H,15H2,1-3H3
InChIKeyPGQICFGDMKOOQW-UHFFFAOYSA-N
XLogP3.30
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
[(4-bromo-1-methylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105342289
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339573
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
[(4-bromo-2-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339599
[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105252746
[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048967
1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048223

Frequently Asked Questions

What is the IUPAC name of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine?
The IUPAC name of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine (CID 105339621) is [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine.
What is the SMILES notation for [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine?
The canonical SMILES for [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine is COc1cnn(C(C)C)c1C(NN)c1cc2sccc2s1.
What is the InChIKey of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine?
The InChIKey is PGQICFGDMKOOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-8(2)18-14(9(19-3)7-16-18)13(17-15)12-6-11-10(21-12)4-5-20-11/h4-8,13,17H,15H2,1-3H3.
What are the key properties of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine?
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine has a molecular weight of 322.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine is sourced from PubChem (CID 105339621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).