cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone

C20H22F2N4O2 — CID 55639056

IUPACcyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H22F2N4O2/c1-12-18(13(2)26(23-12)17-6-5-15(21)11-16(17)22)20(28)25-9-7-24(8-10-25)19(27)14-3-4-14/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyDBSVRHGLKDFOCD-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.46
Rot. Bonds3

About cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 55639056) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID55639056
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Namecyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H22F2N4O2/c1-12-18(13(2)26(23-12)17-6-5-15(21)11-16(17)22)20(28)25-9-7-24(8-10-25)19(27)14-3-4-14/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyDBSVRHGLKDFOCD-UHFFFAOYSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 55639056) is cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is DBSVRHGLKDFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-12-18(13(2)26(23-12)17-6-5-15(21)11-16(17)22)20(28)25-9-7-24(8-10-25)19(27)14-3-4-14/h5-6,11,14H,3-4,7-10H2,1-2H3.
What are the key properties of cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 388.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55639056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).