N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine

C8H9N3S — CID 43540080

IUPACN-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
SMILESc1csc(CNc2cn[nH]c2)c1
InChIInChI=1S/C8H9N3S/c1-2-8(12-3-1)6-9-7-4-10-11-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyIMJQDUJNDSVKPO-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.08
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine

N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine (PubChem CID 43540080) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
PubChem CID43540080
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
SMILESc1csc(CNc2cn[nH]c2)c1
InChIInChI=1S/C8H9N3S/c1-2-8(12-3-1)6-9-7-4-10-11-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyIMJQDUJNDSVKPO-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine (CID 43540080) is N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine is c1csc(CNc2cn[nH]c2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
The InChIKey is IMJQDUJNDSVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-2-8(12-3-1)6-9-7-4-10-11-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine has a molecular weight of 179.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43540080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).