[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine

C12H17N3S — CID 66021449

IUPAC[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine
SMILESCc1nn(C(C)C)cc1-c1csc(CN)c1
InChIInChI=1S/C12H17N3S/c1-8(2)15-6-12(9(3)14-15)10-4-11(5-13)16-7-10/h4,6-8H,5,13H2,1-3H3
InChIKeyOGIHFGVCKJSAJI-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.96
Rot. Bonds3

About [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine

[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine (PubChem CID 66021449) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine
PubChem CID66021449
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine
SMILESCc1nn(C(C)C)cc1-c1csc(CN)c1
InChIInChI=1S/C12H17N3S/c1-8(2)15-6-12(9(3)14-15)10-4-11(5-13)16-7-10/h4,6-8H,5,13H2,1-3H3
InChIKeyOGIHFGVCKJSAJI-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine?
The IUPAC name of [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine (CID 66021449) is [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine is Cc1nn(C(C)C)cc1-c1csc(CN)c1.
What is the InChIKey of [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine?
The InChIKey is OGIHFGVCKJSAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8(2)15-6-12(9(3)14-15)10-4-11(5-13)16-7-10/h4,6-8H,5,13H2,1-3H3.
What are the key properties of [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine?
[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1-propan-2-ylpyrazol-4-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 66021449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).