(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

C12H17N3S — CID 105155533

IUPAC(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1cc(C(N)c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C12H17N3S/c1-7-5-10(6-16-7)12(13)11-8(2)14-15(4)9(11)3/h5-6,12H,13H2,1-4H3
InChIKeyVSHDDSNYFHTDHO-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.45
Rot. Bonds2

About (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105155533) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105155533
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1cc(C(N)c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C12H17N3S/c1-7-5-10(6-16-7)12(13)11-8(2)14-15(4)9(11)3/h5-6,12H,13H2,1-4H3
InChIKeyVSHDDSNYFHTDHO-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155071
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188108
(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105175854
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 114330142
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105155533) is (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1cc(C(N)c2c(C)nn(C)c2C)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is VSHDDSNYFHTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-7-5-10(6-16-7)12(13)11-8(2)14-15(4)9(11)3/h5-6,12H,13H2,1-4H3.
What are the key properties of (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105155533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).