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

C15H18BrClN2O — CID 114645995

IUPAC(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrClN2O/c1-4-5-19-14(12(17)8-18-19)15(20)11-6-9(2)13(16)10(3)7-11/h6-8,15,20H,4-5H2,1-3H3
InChIKeyHPRVSZGMXJWERU-UHFFFAOYSA-N
MW357.68 g/mol
LogP4.41
Rot. Bonds4

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

(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (PubChem CID 114645995) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
PubChem CID114645995
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrClN2O/c1-4-5-19-14(12(17)8-18-19)15(20)11-6-9(2)13(16)10(3)7-11/h6-8,15,20H,4-5H2,1-3H3
InChIKeyHPRVSZGMXJWERU-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (CID 114645995) is (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Cl)c1C(O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The InChIKey is HPRVSZGMXJWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c1-4-5-19-14(12(17)8-18-19)15(20)11-6-9(2)13(16)10(3)7-11/h6-8,15,20H,4-5H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol has a molecular weight of 357.68 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114645995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).