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

C12H14BrClN2OS — CID 103408262

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1scc(C)c1Cl
InChIInChI=1S/C12H14BrClN2OS/c1-3-4-16-10(8(13)5-15-16)11(17)12-9(14)7(2)6-18-12/h5-6,11,17H,3-4H2,1-2H3
InChIKeySRUPSUFJDJWNNB-UHFFFAOYSA-N
MW349.68 g/mol
LogP4.16
Rot. Bonds4

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

(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 103408262) has the molecular formula C12H14BrClN2OS and a molecular weight of 349.68 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
PubChem CID103408262
Molecular FormulaC12H14BrClN2OS
Molecular Weight349.68 g/mol
Exact Mass347.97
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1scc(C)c1Cl
InChIInChI=1S/C12H14BrClN2OS/c1-3-4-16-10(8(13)5-15-16)11(17)12-9(14)7(2)6-18-12/h5-6,11,17H,3-4H2,1-2H3
InChIKeySRUPSUFJDJWNNB-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408313
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103408784
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408254
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103407340
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637483
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (CID 103408262) is (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is CCCn1ncc(Br)c1C(O)c1scc(C)c1Cl.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is SRUPSUFJDJWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2OS/c1-3-4-16-10(8(13)5-15-16)11(17)12-9(14)7(2)6-18-12/h5-6,11,17H,3-4H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 349.68 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 103408262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).