1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine

C14H19BrN4O — CID 75382680

IUPAC1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCCOc1ncccc1CNC(C)Cn1cc(Br)cn1
InChIInChI=1S/C14H19BrN4O/c1-3-20-14-12(5-4-6-16-14)7-17-11(2)9-19-10-13(15)8-18-19/h4-6,8,10-11,17H,3,7,9H2,1-2H3
InChIKeyGEDNLMKJRJULSX-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.62
Rot. Bonds7

About 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine

1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 75382680) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID75382680
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCCOc1ncccc1CNC(C)Cn1cc(Br)cn1
InChIInChI=1S/C14H19BrN4O/c1-3-20-14-12(5-4-6-16-14)7-17-11(2)9-19-10-13(15)8-18-19/h4-6,8,10-11,17H,3,7,9H2,1-2H3
InChIKeyGEDNLMKJRJULSX-UHFFFAOYSA-N
XLogP2.62
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
CID 115726379
N-[[2-[(4-bromopyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62441739
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62295446
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
CID 97231624
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine (CID 75382680) is 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine is CCOc1ncccc1CNC(C)Cn1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is GEDNLMKJRJULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-20-14-12(5-4-6-16-14)7-17-11(2)9-19-10-13(15)8-18-19/h4-6,8,10-11,17H,3,7,9H2,1-2H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine?
1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 339.24 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 75382680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).