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

C14H20N2S — CID 134224882

IUPAC1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole
SMILESCC(C)c1cc(CC(C)c2cnn(C)c2)cs1
InChIInChI=1S/C14H20N2S/c1-10(2)14-6-12(9-17-14)5-11(3)13-7-15-16(4)8-13/h6-11H,5H2,1-4H3
InChIKeyWIUHWFGUWNOLFX-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.95
Rot. Bonds4

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

1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole (PubChem CID 134224882) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole
PubChem CID134224882
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole
SMILESCC(C)c1cc(CC(C)c2cnn(C)c2)cs1
InChIInChI=1S/C14H20N2S/c1-10(2)14-6-12(9-17-14)5-11(3)13-7-15-16(4)8-13/h6-11H,5H2,1-4H3
InChIKeyWIUHWFGUWNOLFX-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,7,9-Trimethyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 9860183
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-(3-methylthiophen-2-YL)azepane
CID 46366472
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
1-Heptyl-4-phenyl-3-thiophen-2-ylpyrazole
CID 177651617
1-Benzyl-4-phenyl-3-thiophen-2-ylpyrazole
CID 177651776
1-Methyl-4-(2-thienyl)pyrazole
CID 12619266
4-[5-(ethylsulfonyl)-2-thienyl]-1-methyl-1H-pyrazole
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CID 50984756
2-(4-methylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 53623601
2-(4-Methyl-1h-pyrazol-1-yl)-N-(2-(thiophen-2-yl)ethyl)ethan-1-amine
CID 56828811

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole?
The IUPAC name of 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole (CID 134224882) is 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole.
What is the SMILES notation for 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole?
The canonical SMILES for 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole is CC(C)c1cc(CC(C)c2cnn(C)c2)cs1.
What is the InChIKey of 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole?
The InChIKey is WIUHWFGUWNOLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10(2)14-6-12(9-17-14)5-11(3)13-7-15-16(4)8-13/h6-11H,5H2,1-4H3.
What are the key properties of 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole?
1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole has a molecular weight of 248.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole is sourced from PubChem (CID 134224882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).