1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole

C24H14N4O2 — CID 156627335

IUPAC1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
SMILESc1cnn(-c2ccc3oc4ccc5oc6ccc(-n7cccn7)cc6c5c4c3c2)c1
InChIInChI=1S/C24H14N4O2/c1-9-25-27(11-1)15-3-5-19-17(13-15)23-21(29-19)7-8-22-24(23)18-14-16(4-6-20(18)30-22)28-12-2-10-26-28/h1-14H
InChIKeyFEIOVPDVFNEYAG-UHFFFAOYSA-N
MW390.40 g/mol
LogP5.86
Rot. Bonds2

About 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole

1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole (PubChem CID 156627335) has the molecular formula C24H14N4O2 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole.

Molecular Properties

Compound Name1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
PubChem CID156627335
Molecular FormulaC24H14N4O2
Molecular Weight390.40 g/mol
Exact Mass390.11
IUPAC Name1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
SMILESc1cnn(-c2ccc3oc4ccc5oc6ccc(-n7cccn7)cc6c5c4c3c2)c1
InChIInChI=1S/C24H14N4O2/c1-9-25-27(11-1)15-3-5-19-17(13-15)23-21(29-19)7-8-22-24(23)18-14-16(4-6-20(18)30-22)28-12-2-10-26-28/h1-14H
InChIKeyFEIOVPDVFNEYAG-UHFFFAOYSA-N
XLogP5.86
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole?
The IUPAC name of 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole (CID 156627335) is 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole.
What is the SMILES notation for 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole?
The canonical SMILES for 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole is c1cnn(-c2ccc3oc4ccc5oc6ccc(-n7cccn7)cc6c5c4c3c2)c1.
What is the InChIKey of 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole?
The InChIKey is FEIOVPDVFNEYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O2/c1-9-25-27(11-1)15-3-5-19-17(13-15)23-21(29-19)7-8-22-24(23)18-14-16(4-6-20(18)30-22)28-12-2-10-26-28/h1-14H.
What are the key properties of 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole?
1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole has a molecular weight of 390.40 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole is sourced from PubChem (CID 156627335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).