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

C10H10BrClN2OS — CID 103408313

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2c(Br)cnn2C)c1Cl
InChIInChI=1S/C10H10BrClN2OS/c1-5-4-16-10(7(5)12)9(15)8-6(11)3-13-14(8)2/h3-4,9,15H,1-2H3
InChIKeyROBMOKRKGVDYFP-UHFFFAOYSA-N
MW321.63 g/mol
LogP3.29
Rot. Bonds2

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

(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 103408313) has the molecular formula C10H10BrClN2OS and a molecular weight of 321.63 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
PubChem CID103408313
Molecular FormulaC10H10BrClN2OS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2c(Br)cnn2C)c1Cl
InChIInChI=1S/C10H10BrClN2OS/c1-5-4-16-10(7(5)12)9(15)8-6(11)3-13-14(8)2/h3-4,9,15H,1-2H3
InChIKeyROBMOKRKGVDYFP-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
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[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103408784
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
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(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
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(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
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(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
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(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
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(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
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4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (CID 103408313) is (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is Cc1csc(C(O)c2c(Br)cnn2C)c1Cl.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is ROBMOKRKGVDYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2OS/c1-5-4-16-10(7(5)12)9(15)8-6(11)3-13-14(8)2/h3-4,9,15H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 321.63 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 103408313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).