1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C20H18Br3N3O — CID 2859627

IUPAC1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCc1nn(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c(C)c1Br
InChIInChI=1S/C20H18Br3N3O/c1-11-20(23)12(2)26(24-11)10-15(27)9-25-18-5-3-13(21)7-16(18)17-8-14(22)4-6-19(17)25/h3-8,15,27H,9-10H2,1-2H3
InChIKeyUMNFCIANMZQSRN-UHFFFAOYSA-N
MW556.10 g/mol
LogP5.96
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 2859627) has the molecular formula C20H18Br3N3O and a molecular weight of 556.10 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID2859627
Molecular FormulaC20H18Br3N3O
Molecular Weight556.10 g/mol
Exact Mass552.90
IUPAC Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCc1nn(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c(C)c1Br
InChIInChI=1S/C20H18Br3N3O/c1-11-20(23)12(2)26(24-11)10-15(27)9-25-18-5-3-13(21)7-16(18)17-8-14(22)4-6-19(17)25/h3-8,15,27H,9-10H2,1-2H3
InChIKeyUMNFCIANMZQSRN-UHFFFAOYSA-N
XLogP5.96
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.10
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 2859627) is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is Cc1nn(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is UMNFCIANMZQSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br3N3O/c1-11-20(23)12(2)26(24-11)10-15(27)9-25-18-5-3-13(21)7-16(18)17-8-14(22)4-6-19(17)25/h3-8,15,27H,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 556.10 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2859627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).