(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine

C11H15N3S — CID 103134660

IUPAC(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCCc1ccsc1C(N)c1ccn(C)n1
InChIInChI=1S/C11H15N3S/c1-3-8-5-7-15-11(8)10(12)9-4-6-14(2)13-9/h4-7,10H,3,12H2,1-2H3
InChIKeyVBZIWCXCIFRWOF-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.09
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine

(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103134660) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103134660
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCCc1ccsc1C(N)c1ccn(C)n1
InChIInChI=1S/C11H15N3S/c1-3-8-5-7-15-11(8)10(12)9-4-6-14(2)13-9/h4-7,10H,3,12H2,1-2H3
InChIKeyVBZIWCXCIFRWOF-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
CID 115827861
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
N-methyl-1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 79987622

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine (CID 103134660) is (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine is CCc1ccsc1C(N)c1ccn(C)n1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is VBZIWCXCIFRWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-8-5-7-15-11(8)10(12)9-4-6-14(2)13-9/h4-7,10H,3,12H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103134660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).