N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine

C12H11N3S2 — CID 66349893

IUPACN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
SMILESc1csc(-c2[nH]ncc2CNc2ccsc2)c1
InChIInChI=1S/C12H11N3S2/c1-2-11(17-4-1)12-9(7-14-15-12)6-13-10-3-5-16-8-10/h1-5,7-8,13H,6H2,(H,14,15)
InChIKeyLRKLUZNKDSYARD-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.81
Rot. Bonds4

About N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine

N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine (PubChem CID 66349893) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
PubChem CID66349893
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
SMILESc1csc(-c2[nH]ncc2CNc2ccsc2)c1
InChIInChI=1S/C12H11N3S2/c1-2-11(17-4-1)12-9(7-14-15-12)6-13-10-3-5-16-8-10/h1-5,7-8,13H,6H2,(H,14,15)
InChIKeyLRKLUZNKDSYARD-UHFFFAOYSA-N
XLogP3.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine (CID 66349893) is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine is c1csc(-c2[nH]ncc2CNc2ccsc2)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine?
The InChIKey is LRKLUZNKDSYARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-2-11(17-4-1)12-9(7-14-15-12)6-13-10-3-5-16-8-10/h1-5,7-8,13H,6H2,(H,14,15).
What are the key properties of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine?
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine has a molecular weight of 261.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 66349893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).