5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole

C7H8ClFN2 — CID 118869810

IUPAC5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole
SMILESCn1nc(C2(F)CC2)cc1Cl
InChIInChI=1S/C7H8ClFN2/c1-11-6(8)4-5(10-11)7(9)2-3-7/h4H,2-3H2,1H3
InChIKeyOMIGOUIOFWKZAV-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.03
Rot. Bonds1

About 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole

5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole (PubChem CID 118869810) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole
PubChem CID118869810
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole
SMILESCn1nc(C2(F)CC2)cc1Cl
InChIInChI=1S/C7H8ClFN2/c1-11-6(8)4-5(10-11)7(9)2-3-7/h4H,2-3H2,1H3
InChIKeyOMIGOUIOFWKZAV-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-ethyl-1-methyl-1H-pyrazole
CID 12035666
5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 5295472
5-Chloro-1-methyl-3-propyl-1H-pyrazole
CID 12035667
1H-Pyrazole, 3-(chloromethyl)-5-cyclopropyl-1-methyl-
CID 60136489
5-Chloro-3-(1-chloroethyl)-1-methyl-1h-pyrazole
CID 101781507
5-Chloro-3-(1-chloroethyl)-1-ethylpyrazole
CID 101781508
5-Cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 68346085
4-Chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 68346369
5-Chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole
CID 68402208
4-Chloro-1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 70829472
5-Cyclopropyl-3-(difluoromethyl)-1-methylpyrazole
CID 90167689
5-Chloro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 118863825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole?
The IUPAC name of 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole (CID 118869810) is 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole.
What is the SMILES notation for 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole?
The canonical SMILES for 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole is Cn1nc(C2(F)CC2)cc1Cl.
What is the InChIKey of 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole?
The InChIKey is OMIGOUIOFWKZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-11-6(8)4-5(10-11)7(9)2-3-7/h4H,2-3H2,1H3.
What are the key properties of 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole?
5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole has a molecular weight of 174.61 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-fluorocyclopropyl)-1-methylpyrazole is sourced from PubChem (CID 118869810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).