(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

C14H16Br2N2O2 — CID 107978713

IUPAC(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1cnn(C(C)C)c1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br2N2O2/c1-8(2)18-13(12(20-3)7-17-18)14(19)9-4-10(15)6-11(16)5-9/h4-8,14,19H,1-3H3
InChIKeyDKMWWASNETUPEY-UHFFFAOYSA-N
MW404.10 g/mol
LogP4.08
Rot. Bonds4

About (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol

(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 107978713) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID107978713
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1cnn(C(C)C)c1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br2N2O2/c1-8(2)18-13(12(20-3)7-17-18)14(19)9-4-10(15)6-11(16)5-9/h4-8,14,19H,1-3H3
InChIKeyDKMWWASNETUPEY-UHFFFAOYSA-N
XLogP4.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(5-bromo-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114658286
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643601
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 105130353
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114656012

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol (CID 107978713) is (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is COc1cnn(C(C)C)c1C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is DKMWWASNETUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-8(2)18-13(12(20-3)7-17-18)14(19)9-4-10(15)6-11(16)5-9/h4-8,14,19H,1-3H3.
What are the key properties of (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol?
(3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 404.10 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 107978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).