4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine

C20H22FN5 — CID 22037585

IUPAC4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
SMILESCC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C
InChIInChI=1S/C20H22FN5/c1-14-13-26(12-11-25(14)2)20-18(15-7-9-22-10-8-15)19(23-24-20)16-3-5-17(21)6-4-16/h3-10,14H,11-13H2,1-2H3,(H,23,24)
InChIKeyUCCKVIGEVDZQFE-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.42
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine

4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine (PubChem CID 22037585) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
PubChem CID22037585
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
SMILESCC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C
InChIInChI=1S/C20H22FN5/c1-14-13-26(12-11-25(14)2)20-18(15-7-9-22-10-8-15)19(23-24-20)16-3-5-17(21)6-4-16/h3-10,14H,11-13H2,1-2H3,(H,23,24)
InChIKeyUCCKVIGEVDZQFE-UHFFFAOYSA-N
XLogP3.42
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine (CID 22037585) is 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine is CC1CN(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CCN1C.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine?
The InChIKey is UCCKVIGEVDZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-14-13-26(12-11-25(14)2)20-18(15-7-9-22-10-8-15)19(23-24-20)16-3-5-17(21)6-4-16/h3-10,14H,11-13H2,1-2H3,(H,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine?
4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine has a molecular weight of 351.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine is sourced from PubChem (CID 22037585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).