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

C15H21N3S — CID 105103598

IUPAC(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCCCn1cc(C(N)C2CCCc3sccc32)cn1
InChIInChI=1S/C15H21N3S/c1-2-7-18-10-11(9-17-18)15(16)13-4-3-5-14-12(13)6-8-19-14/h6,8-10,13,15H,2-5,7,16H2,1H3
InChIKeyLQEMLHXENDVZMM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.47
Rot. Bonds4

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

(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 105103598) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID105103598
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCCCn1cc(C(N)C2CCCc3sccc32)cn1
InChIInChI=1S/C15H21N3S/c1-2-7-18-10-11(9-17-18)15(16)13-4-3-5-14-12(13)6-8-19-14/h6,8-10,13,15H,2-5,7,16H2,1H3
InChIKeyLQEMLHXENDVZMM-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105187091
(4-chloro-1-ethylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105183129
6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
CID 115807334
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
CID 105124704
oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105188419
N-methyl-1-(3-propyltriazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105182311
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105114281
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105162683
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105164498

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 105103598) is (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is CCCn1cc(C(N)C2CCCc3sccc32)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is LQEMLHXENDVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-7-18-10-11(9-17-18)15(16)13-4-3-5-14-12(13)6-8-19-14/h6,8-10,13,15H,2-5,7,16H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 105103598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).