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

C13H13BrCl2N2O — CID 115835583

IUPAC(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H13BrCl2N2O/c1-2-6-18-12(10(15)7-17-18)13(19)8-4-3-5-9(14)11(8)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeyFINVPLSSKRYCAW-UHFFFAOYSA-N
MW364.07 g/mol
LogP4.44
Rot. Bonds4

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

(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (PubChem CID 115835583) has the molecular formula C13H13BrCl2N2O and a molecular weight of 364.07 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
PubChem CID115835583
Molecular FormulaC13H13BrCl2N2O
Molecular Weight364.07 g/mol
Exact Mass361.96
IUPAC Name(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H13BrCl2N2O/c1-2-6-18-12(10(15)7-17-18)13(19)8-4-3-5-9(14)11(8)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeyFINVPLSSKRYCAW-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.07
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(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-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(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
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
CID 115834338
1-(3-bromo-2-chlorophenyl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 105040798
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol (CID 115835583) is (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Cl)c1C(O)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The InChIKey is FINVPLSSKRYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N2O/c1-2-6-18-12(10(15)7-17-18)13(19)8-4-3-5-9(14)11(8)16/h3-5,7,13,19H,2,6H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol has a molecular weight of 364.07 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 115835583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).