(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol

C14H16BrFN2O2 — CID 115835327

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(Br)cnn2C(C)C)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c1-8(2)18-13(10(15)7-17-18)14(19)9-4-5-11(16)12(6-9)20-3/h4-8,14,19H,1-3H3
InChIKeyQKHVHKGVRULXSN-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.46
Rot. Bonds4

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 115835327) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID115835327
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(Br)cnn2C(C)C)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c1-8(2)18-13(10(15)7-17-18)14(19)9-4-5-11(16)12(6-9)20-3/h4-8,14,19H,1-3H3
InChIKeyQKHVHKGVRULXSN-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042891
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756354

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol (CID 115835327) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2c(Br)cnn2C(C)C)ccc1F.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is QKHVHKGVRULXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-8(2)18-13(10(15)7-17-18)14(19)9-4-5-11(16)12(6-9)20-3/h4-8,14,19H,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 343.20 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 115835327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).