(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol

C13H18BrN3O3 — CID 114634300

IUPAC(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1ccc(Br)o1
InChIInChI=1S/C13H18BrN3O3/c1-16(2)6-7-17-12(10(19-3)8-15-17)13(18)9-4-5-11(14)20-9/h4-5,8,13,18H,6-7H2,1-3H3
InChIKeyIHRMDPRPXNSFSE-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.89
Rot. Bonds6

About (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol

(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (PubChem CID 114634300) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
PubChem CID114634300
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)c1ccc(Br)o1
InChIInChI=1S/C13H18BrN3O3/c1-16(2)6-7-17-12(10(19-3)8-15-17)13(18)9-4-5-11(14)20-9/h4-5,8,13,18H,6-7H2,1-3H3
InChIKeyIHRMDPRPXNSFSE-UHFFFAOYSA-N
XLogP1.89
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834677
(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114643699
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
CID 114635196
2-[5-[amino-(5-methylfuran-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039854
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
2-[5-[amino-(5-bromofuran-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039087
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638408

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The IUPAC name of (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (CID 114634300) is (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The canonical SMILES for (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is COc1cnn(CCN(C)C)c1C(O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The InChIKey is IHRMDPRPXNSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-16(2)6-7-17-12(10(19-3)8-15-17)13(18)9-4-5-11(14)20-9/h4-5,8,13,18H,6-7H2,1-3H3.
What are the key properties of (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol has a molecular weight of 344.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is sourced from PubChem (CID 114634300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).