1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C15H19N3S — CID 103029885

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2Cc3ccccc3S2)cn1
InChIInChI=1S/C15H19N3S/c1-18-10-11(9-17-18)6-7-13(16)15-8-12-4-2-3-5-14(12)19-15/h2-5,9-10,13,15H,6-8,16H2,1H3
InChIKeyNXFWEBDNLFDUPR-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029885) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029885
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2Cc3ccccc3S2)cn1
InChIInChI=1S/C15H19N3S/c1-18-10-11(9-17-18)6-7-13(16)15-8-12-4-2-3-5-14(12)19-15/h2-5,9-10,13,15H,6-8,16H2,1H3
InChIKeyNXFWEBDNLFDUPR-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114270
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine
CID 105190083
1-(5,6-dimethyl-1,4-dithian-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103345602
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-yn-1-amine
CID 105179456
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012100
1-(2,3-dihydro-1-benzothiophen-2-yl)oct-7-en-1-amine
CID 107012061
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105160076
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029885) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)C2Cc3ccccc3S2)cn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is NXFWEBDNLFDUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-18-10-11(9-17-18)6-7-13(16)15-8-12-4-2-3-5-14(12)19-15/h2-5,9-10,13,15H,6-8,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).