5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole

C10H12F2N4 — CID 132608963

IUPAC5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(F)c1-c1c(C)nn(C)c1F
InChIInChI=1S/C10H12F2N4/c1-5-7(9(11)15(3)13-5)8-6(2)14-16(4)10(8)12/h1-4H3
InChIKeyXKYNNYOVUMKJEQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.72
Rot. Bonds1

About 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole

5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole (PubChem CID 132608963) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole
PubChem CID132608963
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(F)c1-c1c(C)nn(C)c1F
InChIInChI=1S/C10H12F2N4/c1-5-7(9(11)15(3)13-5)8-6(2)14-16(4)10(8)12/h1-4H3
InChIKeyXKYNNYOVUMKJEQ-UHFFFAOYSA-N
XLogP1.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-fluoro-1,3-dimethylpyrazole
CID 170913532
2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 167426169
5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 155881756
4-fluoro-1,3-dimethyl-5-propan-2-ylpyrazole
CID 142366546
4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
CID 142521622
4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole
CID 140655072
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
4-(2,6-difluorophenyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 140655069
5-fluoro-1,3-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146376882
5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66000415
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 112571923

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole?
The IUPAC name of 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole (CID 132608963) is 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole is Cc1nn(C)c(F)c1-c1c(C)nn(C)c1F.
What is the InChIKey of 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole?
The InChIKey is XKYNNYOVUMKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-5-7(9(11)15(3)13-5)8-6(2)14-16(4)10(8)12/h1-4H3.
What are the key properties of 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole?
5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole has a molecular weight of 226.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 132608963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).