2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H23BrN4O — CID 114660779

IUPAC2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1occc1C)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H23BrN4O/c1-5-17-13(15-11(2)6-9-21-15)14-12(16)10-18-20(14)8-7-19(3)4/h6,9-10,13,17H,5,7-8H2,1-4H3
InChIKeyRPHYUQSWFPSWHS-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.81
Rot. Bonds7

About 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114660779) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114660779
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1occc1C)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H23BrN4O/c1-5-17-13(15-11(2)6-9-21-15)14-12(16)10-18-20(14)8-7-19(3)4/h6,9-10,13,17H,5,7-8H2,1-4H3
InChIKeyRPHYUQSWFPSWHS-UHFFFAOYSA-N
XLogP2.81
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105183340
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylfuran-3-yl)methanol
CID 114645515
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472
N-[(4-bromo-1-propylpyrazol-5-yl)-(2-methylphenyl)methyl]ethanamine
CID 114647689
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657427
2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413
2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648991
N-[1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethyl]propan-1-amine
CID 103517124

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114660779) is 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1occc1C)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is RPHYUQSWFPSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-5-17-13(15-11(2)6-9-21-15)14-12(16)10-18-20(14)8-7-19(3)4/h6,9-10,13,17H,5,7-8H2,1-4H3.
What are the key properties of 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 355.28 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114660779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).