N-(2-pyrazol-1-ylethyl)thiophen-3-amine

C9H11N3S — CID 66350410

IUPACN-(2-pyrazol-1-ylethyl)thiophen-3-amine
SMILESc1cnn(CCNc2ccsc2)c1
InChIInChI=1S/C9H11N3S/c1-3-11-12(5-1)6-4-10-9-2-7-13-8-9/h1-3,5,7-8,10H,4,6H2
InChIKeyVZQYORJHYUCKMM-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.06
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)thiophen-3-amine

N-(2-pyrazol-1-ylethyl)thiophen-3-amine (PubChem CID 66350410) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)thiophen-3-amine
PubChem CID66350410
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-(2-pyrazol-1-ylethyl)thiophen-3-amine
SMILESc1cnn(CCNc2ccsc2)c1
InChIInChI=1S/C9H11N3S/c1-3-11-12(5-1)6-4-10-9-2-7-13-8-9/h1-3,5,7-8,10H,4,6H2
InChIKeyVZQYORJHYUCKMM-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)thiophen-3-amine (CID 66350410) is N-(2-pyrazol-1-ylethyl)thiophen-3-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)thiophen-3-amine is c1cnn(CCNc2ccsc2)c1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
The InChIKey is VZQYORJHYUCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-11-12(5-1)6-4-10-9-2-7-13-8-9/h1-3,5,7-8,10H,4,6H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
N-(2-pyrazol-1-ylethyl)thiophen-3-amine has a molecular weight of 193.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)thiophen-3-amine is sourced from PubChem (CID 66350410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).