[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine

C12H17N3S — CID 121211109

IUPAC[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
SMILESCC(C)Cn1nc(-c2cccs2)cc1CN
InChIInChI=1S/C12H17N3S/c1-9(2)8-15-10(7-13)6-11(14-15)12-4-3-5-16-12/h3-6,9H,7-8,13H2,1-2H3
InChIKeyUYRAFIQNPUFKHX-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.73
Rot. Bonds4

About [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine

[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine (PubChem CID 121211109) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
PubChem CID121211109
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
SMILESCC(C)Cn1nc(-c2cccs2)cc1CN
InChIInChI=1S/C12H17N3S/c1-9(2)8-15-10(7-13)6-11(14-15)12-4-3-5-16-12/h3-6,9H,7-8,13H2,1-2H3
InChIKeyUYRAFIQNPUFKHX-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine
CID 121211134
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211919
N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270798
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine?
The IUPAC name of [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine (CID 121211109) is [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine is CC(C)Cn1nc(-c2cccs2)cc1CN.
What is the InChIKey of [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine?
The InChIKey is UYRAFIQNPUFKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(2)8-15-10(7-13)6-11(14-15)12-4-3-5-16-12/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine?
[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.73, 4 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-2-ylpyrazol-5-yl]methanamine is sourced from PubChem (CID 121211109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).