(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol

C10H12BrN3OS — CID 164718734

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cn(C)nc2Br)sn1
InChIInChI=1S/C10H12BrN3OS/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3
InChIKeyIRHKPXPMBWXIEE-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.28
Rot. Bonds3

About (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol

(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol (PubChem CID 164718734) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol
PubChem CID164718734
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cn(C)nc2Br)sn1
InChIInChI=1S/C10H12BrN3OS/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3
InChIKeyIRHKPXPMBWXIEE-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol (CID 164718734) is (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol is CCc1cc(C(O)c2cn(C)nc2Br)sn1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol?
The InChIKey is IRHKPXPMBWXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol?
(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol has a molecular weight of 302.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 164718734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).