2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole

C24H23N3 — CID 174744492

IUPAC2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole
SMILESC1=NC=C2N=NC=C12.CC1CCc2c(ccc3c2CCc2ccccc2-3)C1
InChIInChI=1S/C19H20.C5H3N3/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18;1-4-2-7-8-5(4)3-6-1/h2-5,8,11,13H,6-7,9-10,12H2,1H3;1-3H
InChIKeyFREJCTGDQCSBHU-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.84
Rot. Bonds

About 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole

2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole (PubChem CID 174744492) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole
PubChem CID174744492
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole
SMILESC1=NC=C2N=NC=C12.CC1CCc2c(ccc3c2CCc2ccccc2-3)C1
InChIInChI=1S/C19H20.C5H3N3/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18;1-4-2-7-8-5(4)3-6-1/h2-5,8,11,13H,6-7,9-10,12H2,1H3;1-3H
InChIKeyFREJCTGDQCSBHU-UHFFFAOYSA-N
XLogP5.84
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole (CID 174744492) is 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole is C1=NC=C2N=NC=C12.CC1CCc2c(ccc3c2CCc2ccccc2-3)C1.
What is the InChIKey of 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole?
The InChIKey is FREJCTGDQCSBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20.C5H3N3/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18;1-4-2-7-8-5(4)3-6-1/h2-5,8,11,13H,6-7,9-10,12H2,1H3;1-3H.
What are the key properties of 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole?
2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole has a molecular weight of 353.47 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,5,6-hexahydrochrysene;pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 174744492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).