1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine

C14H15N3S — CID 114910116

IUPAC1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
SMILESCc1cnn(C(C)c2cc3ccccc3s2)c1N
InChIInChI=1S/C14H15N3S/c1-9-8-16-17(14(9)15)10(2)13-7-11-5-3-4-6-12(11)18-13/h3-8,10H,15H2,1-2H3
InChIKeyNTPWTXLWJOCSLP-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.60
Rot. Bonds2

About 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine

1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine (PubChem CID 114910116) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
PubChem CID114910116
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
SMILESCc1cnn(C(C)c2cc3ccccc3s2)c1N
InChIInChI=1S/C14H15N3S/c1-9-8-16-17(14(9)15)10(2)13-7-11-5-3-4-6-12(11)18-13/h3-8,10H,15H2,1-2H3
InChIKeyNTPWTXLWJOCSLP-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine (CID 114910116) is 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine is Cc1cnn(C(C)c2cc3ccccc3s2)c1N.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
The InChIKey is NTPWTXLWJOCSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-8-16-17(14(9)15)10(2)13-7-11-5-3-4-6-12(11)18-13/h3-8,10H,15H2,1-2H3.
What are the key properties of 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine has a molecular weight of 257.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)ethyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 114910116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).