1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C11H15N3OS — CID 43728987

IUPAC1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C11H15N3OS/c1-15-4-3-14-8-11(7-13-14)12-6-10-2-5-16-9-10/h2,5,7-9,12H,3-4,6H2,1H3
InChIKeyNSPPGKABWNXYEH-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 43728987) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID43728987
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C11H15N3OS/c1-15-4-3-14-8-11(7-13-14)12-6-10-2-5-16-9-10/h2,5,7-9,12H,3-4,6H2,1H3
InChIKeyNSPPGKABWNXYEH-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.20
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-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 43728987) is 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine is COCCn1cc(NCc2ccsc2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is NSPPGKABWNXYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-15-4-3-14-8-11(7-13-14)12-6-10-2-5-16-9-10/h2,5,7-9,12H,3-4,6H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 237.33 g/mol, XLogP of 2.20, 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-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43728987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).