(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

C16H23N3OS — CID 105187091

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CCCc2sccc21
InChIInChI=1S/C16H23N3OS/c1-3-8-19-16(13(20-2)10-18-19)15(17)12-5-4-6-14-11(12)7-9-21-14/h7,9-10,12,15H,3-6,8,17H2,1-2H3
InChIKeyVCODABGCJBXDPS-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.48
Rot. Bonds5

About (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 105187091) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID105187091
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CCCc2sccc21
InChIInChI=1S/C16H23N3OS/c1-3-8-19-16(13(20-2)10-18-19)15(17)12-5-4-6-14-11(12)7-9-21-14/h7,9-10,12,15H,3-6,8,17H2,1-2H3
InChIKeyVCODABGCJBXDPS-UHFFFAOYSA-N
XLogP3.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine with MolForge

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105183129
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105103598
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105186404
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
N-methyl-1-(3-propyltriazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105182311
(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105187165
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105164498
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048967
(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 114651447
N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105162683
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 105187091) is (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is CCCn1ncc(OC)c1C(N)C1CCCc2sccc21.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is VCODABGCJBXDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-8-19-16(13(20-2)10-18-19)15(17)12-5-4-6-14-11(12)7-9-21-14/h7,9-10,12,15H,3-6,8,17H2,1-2H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 305.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 105187091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).