(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine

C12H17N3S — CID 102812622

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1sccc1C
InChIInChI=1S/C12H17N3S/c1-4-10-9(7-15(3)14-10)11(13)12-8(2)5-6-16-12/h5-7,11H,4,13H2,1-3H3
InChIKeyRCXQLTFZFNGWMW-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.40
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine

(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 102812622) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID102812622
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1sccc1C
InChIInChI=1S/C12H17N3S/c1-4-10-9(7-15(3)14-10)11(13)12-8(2)5-6-16-12/h5-7,11H,4,13H2,1-3H3
InChIKeyRCXQLTFZFNGWMW-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102829408
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
CID 105166440
(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 102812112
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812843
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine (CID 102812622) is (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine is CCc1nn(C)cc1C(N)c1sccc1C.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is RCXQLTFZFNGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-10-9(7-15(3)14-10)11(13)12-8(2)5-6-16-12/h5-7,11H,4,13H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 102812622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).