5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole

C22H21N3 — CID 3656058

IUPAC5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole
SMILESCn1c2c(c3ccccc31)C(C)(C)Cc1c-2cnn1-c1ccccc1
InChIInChI=1S/C22H21N3/c1-22(2)13-19-17(14-23-25(19)15-9-5-4-6-10-15)21-20(22)16-11-7-8-12-18(16)24(21)3/h4-12,14H,13H2,1-3H3
InChIKeyVQSCMGVHRADPKV-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.86
Rot. Bonds1

About 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole

5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole (PubChem CID 3656058) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole
PubChem CID3656058
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole
SMILESCn1c2c(c3ccccc31)C(C)(C)Cc1c-2cnn1-c1ccccc1
InChIInChI=1S/C22H21N3/c1-22(2)13-19-17(14-23-25(19)15-9-5-4-6-10-15)21-20(22)16-11-7-8-12-18(16)24(21)3/h4-12,14H,13H2,1-3H3
InChIKeyVQSCMGVHRADPKV-UHFFFAOYSA-N
XLogP4.86
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole?
The IUPAC name of 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole (CID 3656058) is 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole.
What is the SMILES notation for 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole?
The canonical SMILES for 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole is Cn1c2c(c3ccccc31)C(C)(C)Cc1c-2cnn1-c1ccccc1.
What is the InChIKey of 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole?
The InChIKey is VQSCMGVHRADPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-22(2)13-19-17(14-23-25(19)15-9-5-4-6-10-15)21-20(22)16-11-7-8-12-18(16)24(21)3/h4-12,14H,13H2,1-3H3.
What are the key properties of 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole?
5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole has a molecular weight of 327.43 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,10-trimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazole is sourced from PubChem (CID 3656058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).