[3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine

C10H13N3S — CID 130527498

IUPAC[3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine
SMILESCc1cnn(C)c1-c1ccsc1CN
InChIInChI=1S/C10H13N3S/c1-7-6-12-13(2)10(7)8-3-4-14-9(8)5-11/h3-4,6H,5,11H2,1-2H3
InChIKeyPRRNAAPUDHQJMJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.92
Rot. Bonds2

About [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine

[3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine (PubChem CID 130527498) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine
PubChem CID130527498
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name[3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine
SMILESCc1cnn(C)c1-c1ccsc1CN
InChIInChI=1S/C10H13N3S/c1-7-6-12-13(2)10(7)8-3-4-14-9(8)5-11/h3-4,6H,5,11H2,1-2H3
InChIKeyPRRNAAPUDHQJMJ-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine?
The IUPAC name of [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine (CID 130527498) is [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine is Cc1cnn(C)c1-c1ccsc1CN.
What is the InChIKey of [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine?
The InChIKey is PRRNAAPUDHQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-6-12-13(2)10(7)8-3-4-14-9(8)5-11/h3-4,6H,5,11H2,1-2H3.
What are the key properties of [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine?
[3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine has a molecular weight of 207.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dimethylpyrazol-5-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 130527498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).