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

C11H12BrClN2OS — CID 114637483

IUPAC(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1sccc1Br
InChIInChI=1S/C11H12BrClN2OS/c1-2-4-15-9(8(13)6-14-15)10(16)11-7(12)3-5-17-11/h3,5-6,10,16H,2,4H2,1H3
InChIKeyJUKFFDSSHOIBBW-UHFFFAOYSA-N
MW335.65 g/mol
LogP3.85
Rot. Bonds4

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

(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol (PubChem CID 114637483) has the molecular formula C11H12BrClN2OS and a molecular weight of 335.65 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
PubChem CID114637483
Molecular FormulaC11H12BrClN2OS
Molecular Weight335.65 g/mol
Exact Mass333.95
IUPAC Name(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1sccc1Br
InChIInChI=1S/C11H12BrClN2OS/c1-2-4-15-9(8(13)6-14-15)10(16)11-7(12)3-5-17-11/h3,5-6,10,16H,2,4H2,1H3
InChIKeyJUKFFDSSHOIBBW-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638157
(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
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408262
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 115805645

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol (CID 114637483) is (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Cl)c1C(O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
The InChIKey is JUKFFDSSHOIBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2OS/c1-2-4-15-9(8(13)6-14-15)10(16)11-7(12)3-5-17-11/h3,5-6,10,16H,2,4H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol?
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol has a molecular weight of 335.65 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114637483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).