1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene

C15H25N3S — CID 174964887

IUPAC1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene
SMILESCC(C)N1CCCC1.Cn1cccn1.c1ccsc1
InChIInChI=1S/C7H15N.C4H6N2.C4H4S/c1-7(2)8-5-3-4-6-8;1-6-4-2-3-5-6;1-2-4-5-3-1/h7H,3-6H2,1-2H3;2-4H,1H3;1-4H
InChIKeyAIHLXOWWHNOZLK-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.66
Rot. Bonds1

About 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene

1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene (PubChem CID 174964887) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene.

Molecular Properties

Compound Name1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene
PubChem CID174964887
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene
SMILESCC(C)N1CCCC1.Cn1cccn1.c1ccsc1
InChIInChI=1S/C7H15N.C4H6N2.C4H4S/c1-7(2)8-5-3-4-6-8;1-6-4-2-3-5-6;1-2-4-5-3-1/h7H,3-6H2,1-2H3;2-4H,1H3;1-4H
InChIKeyAIHLXOWWHNOZLK-UHFFFAOYSA-N
XLogP3.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene?
The IUPAC name of 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene (CID 174964887) is 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene.
What is the SMILES notation for 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene?
The canonical SMILES for 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene is CC(C)N1CCCC1.Cn1cccn1.c1ccsc1.
What is the InChIKey of 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene?
The InChIKey is AIHLXOWWHNOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H6N2.C4H4S/c1-7(2)8-5-3-4-6-8;1-6-4-2-3-5-6;1-2-4-5-3-1/h7H,3-6H2,1-2H3;2-4H,1H3;1-4H.
What are the key properties of 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene?
1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene has a molecular weight of 279.45 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole;1-propan-2-ylpyrrolidine;thiophene is sourced from PubChem (CID 174964887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).