3-(difluoromethyl)-1-methyl-4-propylpyrazole

C8H12F2N2 — CID 123641001

IUPAC3-(difluoromethyl)-1-methyl-4-propylpyrazole
SMILESCCCc1cn(C)nc1C(F)F
InChIInChI=1S/C8H12F2N2/c1-3-4-6-5-12(2)11-7(6)8(9)10/h5,8H,3-4H2,1-2H3
InChIKeyUARKNAYDMXLGNM-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.31
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-4-propylpyrazole

3-(difluoromethyl)-1-methyl-4-propylpyrazole (PubChem CID 123641001) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-4-propylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-4-propylpyrazole
PubChem CID123641001
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name3-(difluoromethyl)-1-methyl-4-propylpyrazole
SMILESCCCc1cn(C)nc1C(F)F
InChIInChI=1S/C8H12F2N2/c1-3-4-6-5-12(2)11-7(6)8(9)10/h5,8H,3-4H2,1-2H3
InChIKeyUARKNAYDMXLGNM-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-Methyl-3-t-butylpyrazole
CID 145633
1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6483877
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole
CID 60136640
1H-Pyrazole, 5-cyclopropyl-4-ethynyl-1-methyl-
CID 66509540
3-Cyclopropyl-4-ethynyl-1-methyl-1H-pyrazole
CID 66509541
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
4-iodo-1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 75355957

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-4-propylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-methyl-4-propylpyrazole (CID 123641001) is 3-(difluoromethyl)-1-methyl-4-propylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-4-propylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-4-propylpyrazole is CCCc1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-4-propylpyrazole?
The InChIKey is UARKNAYDMXLGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-3-4-6-5-12(2)11-7(6)8(9)10/h5,8H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-methyl-4-propylpyrazole?
3-(difluoromethyl)-1-methyl-4-propylpyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-4-propylpyrazole is sourced from PubChem (CID 123641001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).