(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol

C14H16BrClN2O — CID 115835600

IUPAC(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cccc(Br)c1C
InChIInChI=1S/C14H16BrClN2O/c1-3-7-18-13(12(16)8-17-18)14(19)10-5-4-6-11(15)9(10)2/h4-6,8,14,19H,3,7H2,1-2H3
InChIKeyWYICPMDIYPKGFQ-UHFFFAOYSA-N
MW343.65 g/mol
LogP4.10
Rot. Bonds4

About (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol

(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (PubChem CID 115835600) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
PubChem CID115835600
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cccc(Br)c1C
InChIInChI=1S/C14H16BrClN2O/c1-3-7-18-13(12(16)8-17-18)14(19)10-5-4-6-11(15)9(10)2/h4-6,8,14,19H,3,7H2,1-2H3
InChIKeyWYICPMDIYPKGFQ-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637483
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
[(3-chloro-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107103824
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (CID 115835600) is (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Cl)c1C(O)c1cccc(Br)c1C.
What is the InChIKey of (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The InChIKey is WYICPMDIYPKGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-3-7-18-13(12(16)8-17-18)14(19)10-5-4-6-11(15)9(10)2/h4-6,8,14,19H,3,7H2,1-2H3.
What are the key properties of (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol has a molecular weight of 343.65 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 115835600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).