4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole

C7H10ClFN2O — CID 122170530

IUPAC4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1nn(CCF)cc1Cl
InChIInChI=1S/C7H10ClFN2O/c1-12-5-7-6(8)4-11(10-7)3-2-9/h4H,2-3,5H2,1H3
InChIKeyJNXFRABHUZRMAP-UHFFFAOYSA-N
MW192.62 g/mol
LogP1.65
Rot. Bonds4

About 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole

4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole (PubChem CID 122170530) has the molecular formula C7H10ClFN2O and a molecular weight of 192.62 g/mol. Its IUPAC name is 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
PubChem CID122170530
Molecular FormulaC7H10ClFN2O
Molecular Weight192.62 g/mol
Exact Mass192.05
IUPAC Name4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1nn(CCF)cc1Cl
InChIInChI=1S/C7H10ClFN2O/c1-12-5-7-6(8)4-11(10-7)3-2-9/h4H,2-3,5H2,1H3
InChIKeyJNXFRABHUZRMAP-UHFFFAOYSA-N
XLogP1.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
4-chloro-1-ethyl-3-(propan-2-yloxymethyl)pyrazole
CID 122170565
4-chloro-3-iodo-1-(3-methoxypropyl)pyrazole
CID 79785533
4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole
CID 122170596
1-(2-fluoroethyl)-3-iodo-4-methylpyrazole
CID 80696922
4-chloro-3-(chloromethyl)-1-ethylpyrazole
CID 90480914
1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
CID 146397272
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
methyl 1-(2-fluoroethyl)-3-methoxypyrazole-4-carboxylate
CID 135349361
4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 155291531
1-[[4-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 142600883
2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
CID 84660521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
The IUPAC name of 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole (CID 122170530) is 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
The canonical SMILES for 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole is COCc1nn(CCF)cc1Cl.
What is the InChIKey of 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
The InChIKey is JNXFRABHUZRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2O/c1-12-5-7-6(8)4-11(10-7)3-2-9/h4H,2-3,5H2,1H3.
What are the key properties of 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole has a molecular weight of 192.62 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole is sourced from PubChem (CID 122170530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).