[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

C21H20F2N6O — CID 122162481

IUPAC[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2F)n[nH]1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C21H20F2N6O/c22-14-4-5-15(16(23)11-14)18-12-19(26-25-18)21(30)29-8-6-28(7-9-29)20-10-13-2-1-3-17(13)24-27-20/h4-5,10-12H,1-3,6-9H2,(H,25,26)
InChIKeyWWFAWSHHQTXICY-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.60
Rot. Bonds3

About [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122162481) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122162481
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2F)n[nH]1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C21H20F2N6O/c22-14-4-5-15(16(23)11-14)18-12-19(26-25-18)21(30)29-8-6-28(7-9-29)20-10-13-2-1-3-17(13)24-27-20/h4-5,10-12H,1-3,6-9H2,(H,25,26)
InChIKeyWWFAWSHHQTXICY-UHFFFAOYSA-N
XLogP2.60
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (CID 122162481) is [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(F)cc2F)n[nH]1)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is WWFAWSHHQTXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c22-14-4-5-15(16(23)11-14)18-12-19(26-25-18)21(30)29-8-6-28(7-9-29)20-10-13-2-1-3-17(13)24-27-20/h4-5,10-12H,1-3,6-9H2,(H,25,26).
What are the key properties of [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 410.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122162481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).