[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine

C13H13N3S — CID 82386195

IUPAC[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1[nH]ncc1Cc1csc2ccccc12
InChIInChI=1S/C13H13N3S/c14-6-12-9(7-15-16-12)5-10-8-17-13-4-2-1-3-11(10)13/h1-4,7-8H,5-6,14H2,(H,15,16)
InChIKeyZAJFDQUOSCZKPA-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.67
Rot. Bonds3

About [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine

[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82386195) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID82386195
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1[nH]ncc1Cc1csc2ccccc12
InChIInChI=1S/C13H13N3S/c14-6-12-9(7-15-16-12)5-10-8-17-13-4-2-1-3-11(10)13/h1-4,7-8H,5-6,14H2,(H,15,16)
InChIKeyZAJFDQUOSCZKPA-UHFFFAOYSA-N
XLogP2.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 65360118
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
CID 62699427
[4-[(1-methylindol-2-yl)methyl]-1H-pyrazol-5-yl]methanamine
CID 82387853
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine
CID 96595056
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine
CID 65174642
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine (CID 82386195) is [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine is NCc1[nH]ncc1Cc1csc2ccccc12.
What is the InChIKey of [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is ZAJFDQUOSCZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c14-6-12-9(7-15-16-12)5-10-8-17-13-4-2-1-3-11(10)13/h1-4,7-8H,5-6,14H2,(H,15,16).
What are the key properties of [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine?
[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 243.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82386195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).