(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol

C14H16Br2N2O — CID 115835104

IUPAC(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H16Br2N2O/c1-3-6-18-13(12(16)8-17-18)14(19)10-5-4-9(2)11(15)7-10/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyIMWZYKXJBWGSJG-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.21
Rot. Bonds4

About (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol

(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol (PubChem CID 115835104) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
PubChem CID115835104
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H16Br2N2O/c1-3-6-18-13(12(16)8-17-18)14(19)10-5-4-9(2)11(15)7-10/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyIMWZYKXJBWGSJG-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
CID 114637331
3-[(4-bromo-1-propylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637584
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol (CID 115835104) is (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Br)c1C(O)c1ccc(C)c(Br)c1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The InChIKey is IMWZYKXJBWGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-3-6-18-13(12(16)8-17-18)14(19)10-5-4-9(2)11(15)7-10/h4-5,7-8,14,19H,3,6H2,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol has a molecular weight of 388.10 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 115835104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).