2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol

C15H17Br2N3O — CID 136781654

IUPAC2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESCCCN1CCc2[nH]nc(-c3cc(Br)c(O)c(Br)c3)c2C1
InChIInChI=1S/C15H17Br2N3O/c1-2-4-20-5-3-13-10(8-20)14(19-18-13)9-6-11(16)15(21)12(17)7-9/h6-7,21H,2-5,8H2,1H3,(H,18,19)
InChIKeyZSNSPAUUQDCACU-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.08
Rot. Bonds3

About 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol

2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol (PubChem CID 136781654) has the molecular formula C15H17Br2N3O and a molecular weight of 415.13 g/mol. Its IUPAC name is 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
PubChem CID136781654
Molecular FormulaC15H17Br2N3O
Molecular Weight415.13 g/mol
Exact Mass412.97
IUPAC Name2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
SMILESCCCN1CCc2[nH]nc(-c3cc(Br)c(O)c(Br)c3)c2C1
InChIInChI=1S/C15H17Br2N3O/c1-2-4-20-5-3-13-10(8-20)14(19-18-13)9-6-11(16)15(21)12(17)7-9/h6-7,21H,2-5,8H2,1H3,(H,18,19)
InChIKeyZSNSPAUUQDCACU-UHFFFAOYSA-N
XLogP4.08
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136781793
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816
3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538129
3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536510
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538604
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536007
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
3-(2-fluorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110540065
3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110533589
3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
CID 110539705

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol (CID 136781654) is 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol is CCCN1CCc2[nH]nc(-c3cc(Br)c(O)c(Br)c3)c2C1.
What is the InChIKey of 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
The InChIKey is ZSNSPAUUQDCACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O/c1-2-4-20-5-3-13-10(8-20)14(19-18-13)9-6-11(16)15(21)12(17)7-9/h6-7,21H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol?
2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol has a molecular weight of 415.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol is sourced from PubChem (CID 136781654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).