(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine

C10H13N3OS — CID 115858819

IUPAC(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1csc(C(N)c2ccnn2C)c1
InChIInChI=1S/C10H13N3OS/c1-13-8(3-4-12-13)10(11)9-5-7(14-2)6-15-9/h3-6,10H,11H2,1-2H3
InChIKeyNCBFYSVYYFMSQJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.54
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine

(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115858819) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID115858819
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1csc(C(N)c2ccnn2C)c1
InChIInChI=1S/C10H13N3OS/c1-13-8(3-4-12-13)10(11)9-5-7(14-2)6-15-9/h3-6,10H,11H2,1-2H3
InChIKeyNCBFYSVYYFMSQJ-UHFFFAOYSA-N
XLogP1.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148609
[(4-methoxythiophen-2-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332567
(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
CID 106464848
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367
2-[5-[amino-(4-methoxythiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039133
2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 79492637
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine (CID 115858819) is (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine is COc1csc(C(N)c2ccnn2C)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is NCBFYSVYYFMSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13-8(3-4-12-13)10(11)9-5-7(14-2)6-15-9/h3-6,10H,11H2,1-2H3.
What are the key properties of (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 223.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115858819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).