1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine

C15H16ClN3S — CID 105042604

IUPAC1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C15H16ClN3S/c1-2-7-19-15(11(16)9-18-19)14(17)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9,14H,2,7,17H2,1H3
InChIKeyCRSBZBOJPRUGLG-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.21
Rot. Bonds4

About 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine

1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine (PubChem CID 105042604) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
PubChem CID105042604
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C15H16ClN3S/c1-2-7-19-15(11(16)9-18-19)14(17)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9,14H,2,7,17H2,1H3
InChIKeyCRSBZBOJPRUGLG-UHFFFAOYSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047086
[1-benzothiophen-2-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306988
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine (CID 105042604) is 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(Cl)c1C(N)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
The InChIKey is CRSBZBOJPRUGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-2-7-19-15(11(16)9-18-19)14(17)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9,14H,2,7,17H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine?
1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine has a molecular weight of 305.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105042604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).