1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine

C12H17N3OS — CID 71855066

IUPAC1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCOCCn1ccc(NCc2sccc2C)n1
InChIInChI=1S/C12H17N3OS/c1-10-4-8-17-11(10)9-13-12-3-5-15(14-12)6-7-16-2/h3-5,8H,6-7,9H2,1-2H3,(H,13,14)
InChIKeyUOYXSHMVRHMLIK-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.51
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine

1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 71855066) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID71855066
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCOCCn1ccc(NCc2sccc2C)n1
InChIInChI=1S/C12H17N3OS/c1-10-4-8-17-11(10)9-13-12-3-5-15(14-12)6-7-16-2/h3-5,8H,6-7,9H2,1-2H3,(H,13,14)
InChIKeyUOYXSHMVRHMLIK-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine (CID 71855066) is 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine is COCCn1ccc(NCc2sccc2C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is UOYXSHMVRHMLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10-4-8-17-11(10)9-13-12-3-5-15(14-12)6-7-16-2/h3-5,8H,6-7,9H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 251.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71855066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).