4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole

C20H19FN2 — CID 130448496

IUPAC4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole
SMILESCC1(C)[C@H](c2ccccc2)[C@H]1c1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2/c1-20(2)18(14-7-4-3-5-8-14)19(20)15-12-22-23(13-15)17-10-6-9-16(21)11-17/h3-13,18-19H,1-2H3/t18-,19-/m1/s1
InChIKeyDJDBUSZMUDDWBA-RTBURBONSA-N
MW306.38 g/mol
LogP4.92
Rot. Bonds3

About 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole

4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole (PubChem CID 130448496) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole
PubChem CID130448496
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole
SMILESCC1(C)[C@H](c2ccccc2)[C@H]1c1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2/c1-20(2)18(14-7-4-3-5-8-14)19(20)15-12-22-23(13-15)17-10-6-9-16(21)11-17/h3-13,18-19H,1-2H3/t18-,19-/m1/s1
InChIKeyDJDBUSZMUDDWBA-RTBURBONSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71842280
[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230392
2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 53149268
(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile
CID 154721550
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
1-(3-fluorophenyl)-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrazole
CID 171111808
N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 162346157
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole?
The IUPAC name of 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole (CID 130448496) is 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole.
What is the SMILES notation for 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole?
The canonical SMILES for 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole is CC1(C)[C@H](c2ccccc2)[C@H]1c1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole?
The InChIKey is DJDBUSZMUDDWBA-RTBURBONSA-N. The full InChI is InChI=1S/C20H19FN2/c1-20(2)18(14-7-4-3-5-8-14)19(20)15-12-22-23(13-15)17-10-6-9-16(21)11-17/h3-13,18-19H,1-2H3/t18-,19-/m1/s1.
What are the key properties of 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole?
4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole has a molecular weight of 306.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole is sourced from PubChem (CID 130448496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).