(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

C16H21BrN2O2 — CID 114645987

IUPAC(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H21BrN2O2/c1-5-6-19-15(13(21-4)9-18-19)16(20)12-7-10(2)14(17)11(3)8-12/h7-9,16,20H,5-6H2,1-4H3
InChIKeyCTYSCTUADBDPHS-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.76
Rot. Bonds5

About (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 114645987) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID114645987
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H21BrN2O2/c1-5-6-19-15(13(21-4)9-18-19)16(20)12-7-10(2)14(17)11(3)8-12/h7-9,16,20H,5-6H2,1-4H3
InChIKeyCTYSCTUADBDPHS-UHFFFAOYSA-N
XLogP3.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
furan-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114635264
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634160
[3-(methoxymethyl)phenyl]-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636366
(4-methoxy-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636682
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572559
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 114645987) is (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is CTYSCTUADBDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-5-6-19-15(13(21-4)9-18-19)16(20)12-7-10(2)14(17)11(3)8-12/h7-9,16,20H,5-6H2,1-4H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 353.26 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114645987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).