3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene

C34H35N3 — CID 162241948

IUPAC3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
SMILESCCC1=NN=C(CC)C1.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H13N.C13H10.C7H12N2/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-5-7(4-2)9-8-6/h3-10H,2H2,1H3;1-8H,9H2;3-5H2,1-2H3
InChIKeyZWUZIZJVSXTAQV-UHFFFAOYSA-N
MW485.68 g/mol
LogP9.08
Rot. Bonds3

About 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene

3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene (PubChem CID 162241948) has the molecular formula C34H35N3 and a molecular weight of 485.68 g/mol. Its IUPAC name is 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene.

Molecular Properties

Compound Name3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
PubChem CID162241948
Molecular FormulaC34H35N3
Molecular Weight485.68 g/mol
Exact Mass485.28
IUPAC Name3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
SMILESCCC1=NN=C(CC)C1.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H13N.C13H10.C7H12N2/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-5-7(4-2)9-8-6/h3-10H,2H2,1H3;1-8H,9H2;3-5H2,1-2H3
InChIKeyZWUZIZJVSXTAQV-UHFFFAOYSA-N
XLogP9.08
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene?
The IUPAC name of 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene (CID 162241948) is 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene.
What is the SMILES notation for 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene?
The canonical SMILES for 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene is CCC1=NN=C(CC)C1.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene?
The InChIKey is ZWUZIZJVSXTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C13H10.C7H12N2/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-5-7(4-2)9-8-6/h3-10H,2H2,1H3;1-8H,9H2;3-5H2,1-2H3.
What are the key properties of 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene?
3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene has a molecular weight of 485.68 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene is sourced from PubChem (CID 162241948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).