[1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol

C19H17BrN4O — CID 171771699

IUPAC[1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol
SMILESCCn1ncc2ccc(-c3cc(CO)nn3-c3ccccc3Br)cc21
InChIInChI=1S/C19H17BrN4O/c1-2-23-18-9-13(7-8-14(18)11-21-23)19-10-15(12-25)22-24(19)17-6-4-3-5-16(17)20/h3-11,25H,2,12H2,1H3
InChIKeyUZIFFUYUMGRVRT-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.16
Rot. Bonds4

About [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol

[1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol (PubChem CID 171771699) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol
PubChem CID171771699
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name[1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol
SMILESCCn1ncc2ccc(-c3cc(CO)nn3-c3ccccc3Br)cc21
InChIInChI=1S/C19H17BrN4O/c1-2-23-18-9-13(7-8-14(18)11-21-23)19-10-15(12-25)22-24(19)17-6-4-3-5-16(17)20/h3-11,25H,2,12H2,1H3
InChIKeyUZIFFUYUMGRVRT-UHFFFAOYSA-N
XLogP4.16
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol (CID 171771699) is [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol is CCn1ncc2ccc(-c3cc(CO)nn3-c3ccccc3Br)cc21.
What is the InChIKey of [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol?
The InChIKey is UZIFFUYUMGRVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-2-23-18-9-13(7-8-14(18)11-21-23)19-10-15(12-25)22-24(19)17-6-4-3-5-16(17)20/h3-11,25H,2,12H2,1H3.
What are the key properties of [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol?
[1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol has a molecular weight of 397.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol is sourced from PubChem (CID 171771699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).