1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole

C10H12N2OS — CID 130558376

IUPAC1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
SMILESCc1cc(COc2cnn(C)c2)cs1
InChIInChI=1S/C10H12N2OS/c1-8-3-9(7-14-8)6-13-10-4-11-12(2)5-10/h3-5,7H,6H2,1-2H3
InChIKeyNORWFNIGRZCPKM-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.37
Rot. Bonds3

About 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole

1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole (PubChem CID 130558376) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
PubChem CID130558376
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
SMILESCc1cc(COc2cnn(C)c2)cs1
InChIInChI=1S/C10H12N2OS/c1-8-3-9(7-14-8)6-13-10-4-11-12(2)5-10/h3-5,7H,6H2,1-2H3
InChIKeyNORWFNIGRZCPKM-UHFFFAOYSA-N
XLogP2.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-(furan-3-ylmethoxy)-1-methylpyrazole
CID 116793970
[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 116792491
4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
CID 115753041
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
CID 116793938
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
CID 116794058
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
The IUPAC name of 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole (CID 130558376) is 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole.
What is the SMILES notation for 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
The canonical SMILES for 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole is Cc1cc(COc2cnn(C)c2)cs1.
What is the InChIKey of 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
The InChIKey is NORWFNIGRZCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8-3-9(7-14-8)6-13-10-4-11-12(2)5-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole?
1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole has a molecular weight of 208.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole is sourced from PubChem (CID 130558376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).