8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole

C32H34N4O2 — CID 4626407

IUPAC8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole
SMILESCCCC1=NN(c2ccccc2)C2Oc3c(OC)cccc3C(c3cn(-c4ccccc4)nc3CCC)C12
InChIInChI=1S/C32H34N4O2/c1-4-13-26-25(21-35(33-26)22-15-8-6-9-16-22)29-24-19-12-20-28(37-3)31(24)38-32-30(29)27(14-5-2)34-36(32)23-17-10-7-11-18-23/h6-12,15-21,29-30,32H,4-5,13-14H2,1-3H3
InChIKeyIRDPINVODFEIQS-UHFFFAOYSA-N
MW506.65 g/mol
LogP6.98
Rot. Bonds8

About 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole

8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole (PubChem CID 4626407) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole.

Molecular Properties

Compound Name8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole
PubChem CID4626407
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Name8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole
SMILESCCCC1=NN(c2ccccc2)C2Oc3c(OC)cccc3C(c3cn(-c4ccccc4)nc3CCC)C12
InChIInChI=1S/C32H34N4O2/c1-4-13-26-25(21-35(33-26)22-15-8-6-9-16-22)29-24-19-12-20-28(37-3)31(24)38-32-30(29)27(14-5-2)34-36(32)23-17-10-7-11-18-23/h6-12,15-21,29-30,32H,4-5,13-14H2,1-3H3
InChIKeyIRDPINVODFEIQS-UHFFFAOYSA-N
XLogP6.98
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole?
The IUPAC name of 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole (CID 4626407) is 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole.
What is the SMILES notation for 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole?
The canonical SMILES for 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole is CCCC1=NN(c2ccccc2)C2Oc3c(OC)cccc3C(c3cn(-c4ccccc4)nc3CCC)C12.
What is the InChIKey of 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole?
The InChIKey is IRDPINVODFEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-4-13-26-25(21-35(33-26)22-15-8-6-9-16-22)29-24-19-12-20-28(37-3)31(24)38-32-30(29)27(14-5-2)34-36(32)23-17-10-7-11-18-23/h6-12,15-21,29-30,32H,4-5,13-14H2,1-3H3.
What are the key properties of 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole?
8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole has a molecular weight of 506.65 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-phenyl-4-(1-phenyl-3-propylpyrazol-4-yl)-3-propyl-4,9a-dihydro-3aH-chromeno[2,3-c]pyrazole is sourced from PubChem (CID 4626407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).