1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine

C11H15N3OS — CID 63311070

IUPAC1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCc2cccs2)n1
InChIInChI=1S/C11H15N3OS/c12-11-4-6-14(13-11)5-2-7-15-9-10-3-1-8-16-10/h1,3-4,6,8H,2,5,7,9H2,(H2,12,13)
InChIKeyZJGLESKZKVJFBY-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.13
Rot. Bonds6

About 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine

1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine (PubChem CID 63311070) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine
PubChem CID63311070
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCc2cccs2)n1
InChIInChI=1S/C11H15N3OS/c12-11-4-6-14(13-11)5-2-7-15-9-10-3-1-8-16-10/h1,3-4,6,8H,2,5,7,9H2,(H2,12,13)
InChIKeyZJGLESKZKVJFBY-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine (CID 63311070) is 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine is Nc1ccn(CCCOCc2cccs2)n1.
What is the InChIKey of 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine?
The InChIKey is ZJGLESKZKVJFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-11-4-6-14(13-11)5-2-7-15-9-10-3-1-8-16-10/h1,3-4,6,8H,2,5,7,9H2,(H2,12,13).
What are the key properties of 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine?
1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine has a molecular weight of 237.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophen-2-ylmethoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 63311070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).