4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole

C12H17ClN4O — CID 116804653

IUPAC4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
SMILESCCc1nn(C)c(COc2cnn(CC)c2)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-4-10-12(13)11(16(3)15-10)8-18-9-6-14-17(5-2)7-9/h6-7H,4-5,8H2,1-3H3
InChIKeyBZLNXNKDMFDWSK-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.43
Rot. Bonds5

About 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole

4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole (PubChem CID 116804653) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
PubChem CID116804653
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
SMILESCCc1nn(C)c(COc2cnn(CC)c2)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-4-10-12(13)11(16(3)15-10)8-18-9-6-14-17(5-2)7-9/h6-7H,4-5,8H2,1-3H3
InChIKeyBZLNXNKDMFDWSK-UHFFFAOYSA-N
XLogP2.43
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1,3-dimethylpyrazole
CID 116804551
(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025841
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794426
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
2-amino-5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 107076819
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
CID 116805241
4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 115956601
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
3-bromo-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]aniline
CID 81499785
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluoroaniline
CID 104831258
[3-chloro-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102663627
1-ethyl-4-hexoxypyrazole
CID 116804751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole?
The IUPAC name of 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole (CID 116804653) is 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole is CCc1nn(C)c(COc2cnn(CC)c2)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole?
The InChIKey is BZLNXNKDMFDWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-4-10-12(13)11(16(3)15-10)8-18-9-6-14-17(5-2)7-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole?
4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole has a molecular weight of 268.75 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole is sourced from PubChem (CID 116804653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).