5-(cyclopentylsulfanylmethyl)-1-methylpyrazole

C10H16N2S — CID 130678334

IUPAC5-(cyclopentylsulfanylmethyl)-1-methylpyrazole
SMILESCn1nccc1CSC1CCCC1
InChIInChI=1S/C10H16N2S/c1-12-9(6-7-11-12)8-13-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3
InChIKeyGNAIETNKTLBWJJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.60
Rot. Bonds3

About 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole

5-(cyclopentylsulfanylmethyl)-1-methylpyrazole (PubChem CID 130678334) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(cyclopentylsulfanylmethyl)-1-methylpyrazole
PubChem CID130678334
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-(cyclopentylsulfanylmethyl)-1-methylpyrazole
SMILESCn1nccc1CSC1CCCC1
InChIInChI=1S/C10H16N2S/c1-12-9(6-7-11-12)8-13-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3
InChIKeyGNAIETNKTLBWJJ-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole?
The IUPAC name of 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole (CID 130678334) is 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole.
What is the SMILES notation for 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole?
The canonical SMILES for 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole is Cn1nccc1CSC1CCCC1.
What is the InChIKey of 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole?
The InChIKey is GNAIETNKTLBWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-12-9(6-7-11-12)8-13-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole?
5-(cyclopentylsulfanylmethyl)-1-methylpyrazole has a molecular weight of 196.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfanylmethyl)-1-methylpyrazole is sourced from PubChem (CID 130678334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).