1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole

C11H14N2S — CID 165115873

IUPAC1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole
SMILESCC(C)c1cc(-c2cnn(C)c2)cs1
InChIInChI=1S/C11H14N2S/c1-8(2)11-4-9(7-14-11)10-5-12-13(3)6-10/h4-8H,1-3H3
InChIKeyLFQYPRMAUDNZJF-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.27
Rot. Bonds2

About 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole

1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole (PubChem CID 165115873) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole
PubChem CID165115873
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole
SMILESCC(C)c1cc(-c2cnn(C)c2)cs1
InChIInChI=1S/C11H14N2S/c1-8(2)11-4-9(7-14-11)10-5-12-13(3)6-10/h4-8H,1-3H3
InChIKeyLFQYPRMAUDNZJF-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole?
The IUPAC name of 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole (CID 165115873) is 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole.
What is the SMILES notation for 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole?
The canonical SMILES for 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole is CC(C)c1cc(-c2cnn(C)c2)cs1.
What is the InChIKey of 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole?
The InChIKey is LFQYPRMAUDNZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8(2)11-4-9(7-14-11)10-5-12-13(3)6-10/h4-8H,1-3H3.
What are the key properties of 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole?
1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole has a molecular weight of 206.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole is sourced from PubChem (CID 165115873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).