(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol

C9H9BrN2O2 — CID 114634352

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccco1
InChIInChI=1S/C9H9BrN2O2/c1-12-8(6(10)5-11-12)9(13)7-3-2-4-14-7/h2-5,9,13H,1H3
InChIKeyNTEOMYLQASBWAK-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.86
Rot. Bonds2

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

(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol (PubChem CID 114634352) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
PubChem CID114634352
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccco1
InChIInChI=1S/C9H9BrN2O2/c1-12-8(6(10)5-11-12)9(13)7-3-2-4-14-7/h2-5,9,13H,1H3
InChIKeyNTEOMYLQASBWAK-UHFFFAOYSA-N
XLogP1.86
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 114635081
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
CID 105132487
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol (CID 114634352) is (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol is Cn1ncc(Br)c1C(O)c1ccco1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol?
The InChIKey is NTEOMYLQASBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-12-8(6(10)5-11-12)9(13)7-3-2-4-14-7/h2-5,9,13H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol has a molecular weight of 257.09 g/mol, XLogP of 1.86, 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)-(furan-2-yl)methanol is sourced from PubChem (CID 114634352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).