4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole

C20H24F2N2 — CID 160563690

IUPAC4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole
SMILESCCCCC(C1=CC=C(c2cn[nH]c2)CC1)C1C=CC(F)=C(F)C1
InChIInChI=1S/C20H24F2N2/c1-2-3-4-18(16-9-10-19(21)20(22)11-16)15-7-5-14(6-8-15)17-12-23-24-13-17/h5,7,9-10,12-13,16,18H,2-4,6,8,11H2,1H3,(H,23,24)
InChIKeyUAGXJFBGKSXQLG-UHFFFAOYSA-N
MW330.42 g/mol
LogP6.05
Rot. Bonds6

About 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole

4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole (PubChem CID 160563690) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole
PubChem CID160563690
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole
SMILESCCCCC(C1=CC=C(c2cn[nH]c2)CC1)C1C=CC(F)=C(F)C1
InChIInChI=1S/C20H24F2N2/c1-2-3-4-18(16-9-10-19(21)20(22)11-16)15-7-5-14(6-8-15)17-12-23-24-13-17/h5,7,9-10,12-13,16,18H,2-4,6,8,11H2,1H3,(H,23,24)
InChIKeyUAGXJFBGKSXQLG-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-((2,4-difluorophenyl)methyl)-1H-pyrazole
CID 136576223
4-(diphenylmethyl)-1H-pyrazole
CID 15236834
4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole
CID 58302952
4-[4-[1-(3,4-difluorophenyl)pentyl]phenyl]-1H-pyrazole
CID 58302978
3-(2-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446753
4-(4-fluorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]butan-1-amine
CID 67540194
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 68650271
3-(4,5-difluorocyclohexa-2,4-dien-1-yl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71182608
4-(2,3-Difluorophenyl)-1h-pyrazole
CID 83808333
4-(2,3,4-trifluorophenyl)-1H-pyrazole
CID 83808337
4-(2,4-Difluorophenyl)-1h-pyrazole
CID 83808344
4-(3,4-Difluorophenyl)-1H-pyrazole
CID 83808346

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole?
The IUPAC name of 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole (CID 160563690) is 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole.
What is the SMILES notation for 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole?
The canonical SMILES for 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole is CCCCC(C1=CC=C(c2cn[nH]c2)CC1)C1C=CC(F)=C(F)C1.
What is the InChIKey of 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole?
The InChIKey is UAGXJFBGKSXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2/c1-2-3-4-18(16-9-10-19(21)20(22)11-16)15-7-5-14(6-8-15)17-12-23-24-13-17/h5,7,9-10,12-13,16,18H,2-4,6,8,11H2,1H3,(H,23,24).
What are the key properties of 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole?
4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole has a molecular weight of 330.42 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4,5-difluorocyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-dien-1-yl]-1H-pyrazole is sourced from PubChem (CID 160563690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).