[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine

C13H15N3S — CID 79224217

IUPAC[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine
SMILESNCc1ccn(CC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H15N3S/c14-8-11-5-6-16(15-11)9-12-7-10-3-1-2-4-13(10)17-12/h1-6,12H,7-9,14H2
InChIKeyWOVDZDHNNSWGTP-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.06
Rot. Bonds3

About [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine

[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine (PubChem CID 79224217) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine
PubChem CID79224217
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine
SMILESNCc1ccn(CC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H15N3S/c14-8-11-5-6-16(15-11)9-12-7-10-3-1-2-4-13(10)17-12/h1-6,12H,7-9,14H2
InChIKeyWOVDZDHNNSWGTP-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine (CID 79224217) is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine is NCc1ccn(CC2Cc3ccccc3S2)n1.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine?
The InChIKey is WOVDZDHNNSWGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-8-11-5-6-16(15-11)9-12-7-10-3-1-2-4-13(10)17-12/h1-6,12H,7-9,14H2.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine?
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.06, 3 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-ylmethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 79224217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).