1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

C14H20BrN3O — CID 105042324

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2c(Br)cnn2C(C)C)o1
InChIInChI=1S/C14H20BrN3O/c1-5-10-6-7-12(19-10)13(16-4)14-11(15)8-17-18(14)9(2)3/h6-9,13,16H,5H2,1-4H3
InChIKeyZIOBVUYNNBDBIZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (PubChem CID 105042324) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
PubChem CID105042324
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2c(Br)cnn2C(C)C)o1
InChIInChI=1S/C14H20BrN3O/c1-5-10-6-7-12(19-10)13(16-4)14-11(15)8-17-18(14)9(2)3/h6-9,13,16H,5H2,1-4H3
InChIKeyZIOBVUYNNBDBIZ-UHFFFAOYSA-N
XLogP3.69
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
1-(5-ethylfuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858790
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
CID 115805217
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105042035
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103095
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105183926
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105183986
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517138

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (CID 105042324) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2c(Br)cnn2C(C)C)o1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is ZIOBVUYNNBDBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-5-10-6-7-12(19-10)13(16-4)14-11(15)8-17-18(14)9(2)3/h6-9,13,16H,5H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 326.24 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105042324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).