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

C14H16BrClN2O2 — CID 115835375

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H16BrClN2O2/c1-8(2)18-13(11(15)7-17-18)14(19)10-5-4-9(16)6-12(10)20-3/h4-8,14,19H,1-3H3
InChIKeyNCXBWSUZHIDEHG-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.97
Rot. Bonds4

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol (PubChem CID 115835375) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
PubChem CID115835375
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H16BrClN2O2/c1-8(2)18-13(11(15)7-17-18)14(19)10-5-4-9(16)6-12(10)20-3/h4-8,14,19H,1-3H3
InChIKeyNCXBWSUZHIDEHG-UHFFFAOYSA-N
XLogP3.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105042035
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643601
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol (CID 115835375) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol is COc1cc(Cl)ccc1C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol?
The InChIKey is NCXBWSUZHIDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-8(2)18-13(11(15)7-17-18)14(19)10-5-4-9(16)6-12(10)20-3/h4-8,14,19H,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol has a molecular weight of 359.65 g/mol, XLogP of 3.97, 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-chloro-2-methoxyphenyl)methanol is sourced from PubChem (CID 115835375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).