(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine

C11H15N3S — CID 105100495

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
SMILESCCn1nc(C)cc1C(N)c1cccs1
InChIInChI=1S/C11H15N3S/c1-3-14-9(7-8(2)13-14)11(12)10-5-4-6-15-10/h4-7,11H,3,12H2,1-2H3
InChIKeyXWMDQHWAQOMTJS-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.32
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine

(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine (PubChem CID 105100495) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
PubChem CID105100495
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
SMILESCCn1nc(C)cc1C(N)c1cccs1
InChIInChI=1S/C11H15N3S/c1-3-14-9(7-8(2)13-14)11(12)10-5-4-6-15-10/h4-7,11H,3,12H2,1-2H3
InChIKeyXWMDQHWAQOMTJS-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-(furan-2-yl)methanamine
CID 105146979
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
CID 82442949
(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 105145003
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106656773
[(2-ethyl-5-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318757
cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106657140
2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
CID 60619872
2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105101126
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
1-(2-ethyl-5-methylpyrazol-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174148

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine (CID 105100495) is (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine is CCn1nc(C)cc1C(N)c1cccs1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine?
The InChIKey is XWMDQHWAQOMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-14-9(7-8(2)13-14)11(12)10-5-4-6-15-10/h4-7,11H,3,12H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine?
(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 105100495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).