1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

C13H18BrN3O2 — CID 106858742

IUPAC1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1Br)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H18BrN3O2/c1-8(2)17-12(10(18-4)7-16-17)11(15-3)9-5-6-19-13(9)14/h5-8,11,15H,1-4H3
InChIKeyWFJQWFCOSWHWQN-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 106858742) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID106858742
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1Br)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H18BrN3O2/c1-8(2)17-12(10(18-4)7-16-17)11(15-3)9-5-6-19-13(9)14/h5-8,11,15H,1-4H3
InChIKeyWFJQWFCOSWHWQN-UHFFFAOYSA-N
XLogP3.14
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114659373
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105048264
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114658402
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 114660729
1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186805
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
1-(3,5-dibromo-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114660600
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114657923
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105042035

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (CID 106858742) is 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is CNC(c1ccoc1Br)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is WFJQWFCOSWHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-8(2)17-12(10(18-4)7-16-17)11(15-3)9-5-6-19-13(9)14/h5-8,11,15H,1-4H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 328.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 106858742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).