(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol

C11H9BrCl2N2O — CID 114634413

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9BrCl2N2O/c1-16-10(7(12)5-15-16)11(17)6-2-3-8(13)9(14)4-6/h2-5,11,17H,1H3
InChIKeyORIUHAAORXZNKO-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.57
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol (PubChem CID 114634413) has the molecular formula C11H9BrCl2N2O and a molecular weight of 336.02 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
PubChem CID114634413
Molecular FormulaC11H9BrCl2N2O
Molecular Weight336.02 g/mol
Exact Mass333.93
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9BrCl2N2O/c1-16-10(7(12)5-15-16)11(17)6-2-3-8(13)9(14)4-6/h2-5,11,17H,1H3
InChIKeyORIUHAAORXZNKO-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 107997373
(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
CID 105132514
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
CID 114634352
(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114637474
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol (CID 114634413) is (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol is Cn1ncc(Br)c1C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol?
The InChIKey is ORIUHAAORXZNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O/c1-16-10(7(12)5-15-16)11(17)6-2-3-8(13)9(14)4-6/h2-5,11,17H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol has a molecular weight of 336.02 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 114634413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).