1H-pyrazole;pyridine;thiophene

C12H13N3S — CID 158592325

IUPAC1H-pyrazole;pyridine;thiophene
SMILESc1ccncc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.C4H4S.C3H4N2/c1-2-4-6-5-3-1;2*1-2-4-5-3-1/h1-5H;1-4H;1-3H,(H,4,5)
InChIKeyHUPFCSWKHHXZGS-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.24
Rot. Bonds

About 1H-pyrazole;pyridine;thiophene

1H-pyrazole;pyridine;thiophene (PubChem CID 158592325) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1H-pyrazole;pyridine;thiophene.

Molecular Properties

Compound Name1H-pyrazole;pyridine;thiophene
PubChem CID158592325
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name1H-pyrazole;pyridine;thiophene
SMILESc1ccncc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.C4H4S.C3H4N2/c1-2-4-6-5-3-1;2*1-2-4-5-3-1/h1-5H;1-4H;1-3H,(H,4,5)
InChIKeyHUPFCSWKHHXZGS-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-pyrazole;pyridine;thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;pyridine;thiophene?
The IUPAC name of 1H-pyrazole;pyridine;thiophene (CID 158592325) is 1H-pyrazole;pyridine;thiophene.
What is the SMILES notation for 1H-pyrazole;pyridine;thiophene?
The canonical SMILES for 1H-pyrazole;pyridine;thiophene is c1ccncc1.c1ccsc1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;pyridine;thiophene?
The InChIKey is HUPFCSWKHHXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4S.C3H4N2/c1-2-4-6-5-3-1;2*1-2-4-5-3-1/h1-5H;1-4H;1-3H,(H,4,5).
What are the key properties of 1H-pyrazole;pyridine;thiophene?
1H-pyrazole;pyridine;thiophene has a molecular weight of 231.32 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;pyridine;thiophene is sourced from PubChem (CID 158592325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).