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

C20H19BrN4O — CID 171771701

IUPAC[1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol
SMILESCCCn1ncc2ccc(-c3cc(CO)nn3-c3ccccc3Br)cc21
InChIInChI=1S/C20H19BrN4O/c1-2-9-24-19-10-14(7-8-15(19)12-22-24)20-11-16(13-26)23-25(20)18-6-4-3-5-17(18)21/h3-8,10-12,26H,2,9,13H2,1H3
InChIKeyKPWOUTKPSYAVMH-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.55
Rot. Bonds5

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

[1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol (PubChem CID 171771701) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol
PubChem CID171771701
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name[1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol
SMILESCCCn1ncc2ccc(-c3cc(CO)nn3-c3ccccc3Br)cc21
InChIInChI=1S/C20H19BrN4O/c1-2-9-24-19-10-14(7-8-15(19)12-22-24)20-11-16(13-26)23-25(20)18-6-4-3-5-17(18)21/h3-8,10-12,26H,2,9,13H2,1H3
InChIKeyKPWOUTKPSYAVMH-UHFFFAOYSA-N
XLogP4.55
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.55
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-propylindazol-6-yl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol (CID 171771701) is [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol is CCCn1ncc2ccc(-c3cc(CO)nn3-c3ccccc3Br)cc21.
What is the InChIKey of [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol?
The InChIKey is KPWOUTKPSYAVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-2-9-24-19-10-14(7-8-15(19)12-22-24)20-11-16(13-26)23-25(20)18-6-4-3-5-17(18)21/h3-8,10-12,26H,2,9,13H2,1H3.
What are the key properties of [1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol?
[1-(2-bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol has a molecular weight of 411.30 g/mol, XLogP of 4.55, 5 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-propylindazol-6-yl)pyrazol-3-yl]methanol is sourced from PubChem (CID 171771701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).