(4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol

C9H8BrClN2OS — CID 103130358

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C9H8BrClN2OS/c1-13-3-2-6(12-13)8(14)7-4-5(10)9(11)15-7/h2-4,8,14H,1H3
InChIKeyVVFQWZXVAYYFNG-UHFFFAOYSA-N
MW307.60 g/mol
LogP2.98
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103130358) has the molecular formula C9H8BrClN2OS and a molecular weight of 307.60 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103130358
Molecular FormulaC9H8BrClN2OS
Molecular Weight307.60 g/mol
Exact Mass305.92
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C9H8BrClN2OS/c1-13-3-2-6(12-13)8(14)7-4-5(10)9(11)15-7/h2-4,8,14H,1H3
InChIKeyVVFQWZXVAYYFNG-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.60
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Fluorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 130594771
2-[(5-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 9798196
2-[(4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 9798197
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
(2-Methylpyrazol-3-yl)-(4-methylthiophen-2-yl)methanol
CID 69789370
(3-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 115381011
[5-(4-Bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
CID 150345553

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (CID 103130358) is (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2cc(Br)c(Cl)s2)n1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is VVFQWZXVAYYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2OS/c1-13-3-2-6(12-13)8(14)7-4-5(10)9(11)15-7/h2-4,8,14H,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 307.60 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103130358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).