[1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine

C12H17N3OS — CID 63756505

IUPAC[1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(OCCc2cccs2)c1CN
InChIInChI=1S/C12H17N3OS/c1-9-11(8-13)12(15(2)14-9)16-6-5-10-4-3-7-17-10/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyHSAJJHFKMMYBAK-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.87
Rot. Bonds5

About [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine (PubChem CID 63756505) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine
PubChem CID63756505
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(OCCc2cccs2)c1CN
InChIInChI=1S/C12H17N3OS/c1-9-11(8-13)12(15(2)14-9)16-6-5-10-4-3-7-17-10/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyHSAJJHFKMMYBAK-UHFFFAOYSA-N
XLogP1.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine (CID 63756505) is [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine is Cc1nn(C)c(OCCc2cccs2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine?
The InChIKey is HSAJJHFKMMYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9-11(8-13)12(15(2)14-9)16-6-5-10-4-3-7-17-10/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine is sourced from PubChem (CID 63756505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).