(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol

C13H16BrN3O3 — CID 103523206

IUPAC(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cnn(C)c2N)c(OC)c1Br
InChIInChI=1S/C13H16BrN3O3/c1-17-13(15)8(6-16-17)11(18)7-4-5-9(19-2)10(14)12(7)20-3/h4-6,11,18H,15H2,1-3H3
InChIKeyIQBTVZSYMFUYJA-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.86
Rot. Bonds4

About (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol

(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol (PubChem CID 103523206) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
PubChem CID103523206
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cnn(C)c2N)c(OC)c1Br
InChIInChI=1S/C13H16BrN3O3/c1-17-13(15)8(6-16-17)11(18)7-4-5-9(19-2)10(14)12(7)20-3/h4-6,11,18H,15H2,1-3H3
InChIKeyIQBTVZSYMFUYJA-UHFFFAOYSA-N
XLogP1.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 103524627
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736
(5-amino-1-methylpyrazol-4-yl)-(4-methoxyphenyl)methanol
CID 65362246
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 103524545
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
CID 107978790
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol
CID 103522944
(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 65362027
4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 103523398
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 103524628

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol (CID 103523206) is (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cnn(C)c2N)c(OC)c1Br.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol?
The InChIKey is IQBTVZSYMFUYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-17-13(15)8(6-16-17)11(18)7-4-5-9(19-2)10(14)12(7)20-3/h4-6,11,18H,15H2,1-3H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol?
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol has a molecular weight of 342.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 103523206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).