1-methyl-4-(thian-2-yloxy)pyrazole

C9H14N2OS — CID 117233445

IUPAC1-methyl-4-(thian-2-yloxy)pyrazole
SMILESCn1cc(OC2CCCCS2)cn1
InChIInChI=1S/C9H14N2OS/c1-11-7-8(6-10-11)12-9-4-2-3-5-13-9/h6-7,9H,2-5H2,1H3
InChIKeyKOEUVVCLMFZCFD-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.04
Rot. Bonds2

About 1-methyl-4-(thian-2-yloxy)pyrazole

1-methyl-4-(thian-2-yloxy)pyrazole (PubChem CID 117233445) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyl-4-(thian-2-yloxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(thian-2-yloxy)pyrazole
PubChem CID117233445
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-methyl-4-(thian-2-yloxy)pyrazole
SMILESCn1cc(OC2CCCCS2)cn1
InChIInChI=1S/C9H14N2OS/c1-11-7-8(6-10-11)12-9-4-2-3-5-13-9/h6-7,9H,2-5H2,1H3
InChIKeyKOEUVVCLMFZCFD-UHFFFAOYSA-N
XLogP2.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one
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N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
CID 105255705
1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
CID 103160725
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
2-methoxy-3-(1-methylpyrazol-4-yl)oxycyclobutan-1-amine
CID 116794334
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
CID 106931222
2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
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CID 170306643

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(thian-2-yloxy)pyrazole?
The IUPAC name of 1-methyl-4-(thian-2-yloxy)pyrazole (CID 117233445) is 1-methyl-4-(thian-2-yloxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(thian-2-yloxy)pyrazole?
The canonical SMILES for 1-methyl-4-(thian-2-yloxy)pyrazole is Cn1cc(OC2CCCCS2)cn1.
What is the InChIKey of 1-methyl-4-(thian-2-yloxy)pyrazole?
The InChIKey is KOEUVVCLMFZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-7-8(6-10-11)12-9-4-2-3-5-13-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(thian-2-yloxy)pyrazole?
1-methyl-4-(thian-2-yloxy)pyrazole has a molecular weight of 198.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(thian-2-yloxy)pyrazole is sourced from PubChem (CID 117233445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).