4-methoxy-1-methyl-3-propan-2-ylpyrazole

C8H14N2O — CID 163957841

IUPAC4-methoxy-1-methyl-3-propan-2-ylpyrazole
SMILESCOc1cn(C)nc1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)8-7(11-4)5-10(3)9-8/h5-6H,1-4H3
InChIKeySEYLZEIYYLNFBN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.55
Rot. Bonds2

About 4-methoxy-1-methyl-3-propan-2-ylpyrazole

4-methoxy-1-methyl-3-propan-2-ylpyrazole (PubChem CID 163957841) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-propan-2-ylpyrazole
PubChem CID163957841
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methoxy-1-methyl-3-propan-2-ylpyrazole
SMILESCOc1cn(C)nc1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)8-7(11-4)5-10(3)9-8/h5-6H,1-4H3
InChIKeySEYLZEIYYLNFBN-UHFFFAOYSA-N
XLogP1.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43757861
trans-(3R,4R)-3,4-dimethoxy-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 167789498
CID 171088797
CID 171088797
3-fluoro-N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 136561836
methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
CID 130477952
5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
CID 164758234
N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 136561404
3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine
CID 136571993
N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 146148984
6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114263271
4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 62872595
3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 106187305

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-propan-2-ylpyrazole?
The IUPAC name of 4-methoxy-1-methyl-3-propan-2-ylpyrazole (CID 163957841) is 4-methoxy-1-methyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 4-methoxy-1-methyl-3-propan-2-ylpyrazole?
The canonical SMILES for 4-methoxy-1-methyl-3-propan-2-ylpyrazole is COc1cn(C)nc1C(C)C.
What is the InChIKey of 4-methoxy-1-methyl-3-propan-2-ylpyrazole?
The InChIKey is SEYLZEIYYLNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8-7(11-4)5-10(3)9-8/h5-6H,1-4H3.
What are the key properties of 4-methoxy-1-methyl-3-propan-2-ylpyrazole?
4-methoxy-1-methyl-3-propan-2-ylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 163957841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).