1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

C16H19N3OS — CID 105048223

IUPAC1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C16H19N3OS/c1-10(2)19-16(12(20-3)9-18-19)15(17)14-8-11-6-4-5-7-13(11)21-14/h4-10,15H,17H2,1-3H3
InChIKeyRGRKSZQVDVWDOH-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.74
Rot. Bonds4

About 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 105048223) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID105048223
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C16H19N3OS/c1-10(2)19-16(12(20-3)9-18-19)15(17)14-8-11-6-4-5-7-13(11)21-14/h4-10,15H,17H2,1-3H3
InChIKeyRGRKSZQVDVWDOH-UHFFFAOYSA-N
XLogP3.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047086
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345
1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135
(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646284
(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646162
1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682258
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105339621
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanamine
CID 114648806
1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 105042604
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (CID 105048223) is 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is COc1cnn(C(C)C)c1C(N)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is RGRKSZQVDVWDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(2)19-16(12(20-3)9-18-19)15(17)14-8-11-6-4-5-7-13(11)21-14/h4-10,15H,17H2,1-3H3.
What are the key properties of 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 301.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105048223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).