4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C22H17FN6 — CID 135249959

IUPAC4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
SMILESN#CC1CC=C(c2nccn3ncc(-c4cnn(-c5ccc(F)cc5)c4)c23)CC1
InChIInChI=1S/C22H17FN6/c23-18-5-7-19(8-6-18)29-14-17(12-26-29)20-13-27-28-10-9-25-21(22(20)28)16-3-1-15(11-24)2-4-16/h3,5-10,12-15H,1-2,4H2
InChIKeyWRIUAPIBPZVAKI-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.43
Rot. Bonds3

About 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 135249959) has the molecular formula C22H17FN6 and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
PubChem CID135249959
Molecular FormulaC22H17FN6
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC Name4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
SMILESN#CC1CC=C(c2nccn3ncc(-c4cnn(-c5ccc(F)cc5)c4)c23)CC1
InChIInChI=1S/C22H17FN6/c23-18-5-7-19(8-6-18)29-14-17(12-26-29)20-13-27-28-10-9-25-21(22(20)28)16-3-1-15(11-24)2-4-16/h3,5-10,12-15H,1-2,4H2
InChIKeyWRIUAPIBPZVAKI-UHFFFAOYSA-N
XLogP4.43
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Nerispirdine
CID 3081185
3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile
CID 130339268
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
3-(3-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
CID 10192768
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564
3-(4-Fluorophenyl)-1-methyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 11822822
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 135249959) is 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is N#CC1CC=C(c2nccn3ncc(-c4cnn(-c5ccc(F)cc5)c4)c23)CC1.
What is the InChIKey of 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The InChIKey is WRIUAPIBPZVAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6/c23-18-5-7-19(8-6-18)29-14-17(12-26-29)20-13-27-28-10-9-25-21(22(20)28)16-3-1-15(11-24)2-4-16/h3,5-10,12-15H,1-2,4H2.
What are the key properties of 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 384.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 135249959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).