[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine

C14H15N3S — CID 62447807

IUPAC[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCc1cnn(Cc2c(CN)sc3ccccc23)c1
InChIInChI=1S/C14H15N3S/c1-10-7-16-17(8-10)9-12-11-4-2-3-5-13(11)18-14(12)6-15/h2-5,7-8H,6,9,15H2,1H3
InChIKeyKETIALQMLFGNPW-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.91
Rot. Bonds3

About [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine

[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (PubChem CID 62447807) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
PubChem CID62447807
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCc1cnn(Cc2c(CN)sc3ccccc23)c1
InChIInChI=1S/C14H15N3S/c1-10-7-16-17(8-10)9-12-11-4-2-3-5-13(11)18-14(12)6-15/h2-5,7-8H,6,9,15H2,1H3
InChIKeyKETIALQMLFGNPW-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62447588
[3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 116793579
[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62425059
[3-[(3,5-diethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 82699302
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
1-[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62447247
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62434463
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665
[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 114597100
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62412418
[3-(1,4-oxazepan-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 55141926
3-bromo-2-[(4-methylpyrazol-1-yl)methyl]aniline
CID 60874411

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (CID 62447807) is [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is Cc1cnn(Cc2c(CN)sc3ccccc23)c1.
What is the InChIKey of [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The InChIKey is KETIALQMLFGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-7-16-17(8-10)9-12-11-4-2-3-5-13(11)18-14(12)6-15/h2-5,7-8H,6,9,15H2,1H3.
What are the key properties of [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine has a molecular weight of 257.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62447807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).