1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine

C11H15N3S — CID 121214181

IUPAC1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
SMILESCC(C)Cn1nc(-c2ccsc2)cc1N
InChIInChI=1S/C11H15N3S/c1-8(2)6-14-11(12)5-10(13-14)9-3-4-15-7-9/h3-5,7-8H,6,12H2,1-2H3
InChIKeyDWCVCOXXZVSSRA-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine

1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 121214181) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
PubChem CID121214181
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
SMILESCC(C)Cn1nc(-c2ccsc2)cc1N
InChIInChI=1S/C11H15N3S/c1-8(2)6-14-11(12)5-10(13-14)9-3-4-15-7-9/h3-5,7-8H,6,12H2,1-2H3
InChIKeyDWCVCOXXZVSSRA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine (CID 121214181) is 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine is CC(C)Cn1nc(-c2ccsc2)cc1N.
What is the InChIKey of 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is DWCVCOXXZVSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8(2)6-14-11(12)5-10(13-14)9-3-4-15-7-9/h3-5,7-8H,6,12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine?
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 221.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 121214181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).