5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol

C11H20BrN3O — CID 107302795

IUPAC5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol
SMILESCc1nn(C)c(CNCCCC(C)O)c1Br
InChIInChI=1S/C11H20BrN3O/c1-8(16)5-4-6-13-7-10-11(12)9(2)14-15(10)3/h8,13,16H,4-7H2,1-3H3
InChIKeyIDWJGEKNLZQGRP-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.74
Rot. Bonds6

About 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol

5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol (PubChem CID 107302795) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol
PubChem CID107302795
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol
SMILESCc1nn(C)c(CNCCCC(C)O)c1Br
InChIInChI=1S/C11H20BrN3O/c1-8(16)5-4-6-13-7-10-11(12)9(2)14-15(10)3/h8,13,16H,4-7H2,1-3H3
InChIKeyIDWJGEKNLZQGRP-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-methylhexan-1-amine
CID 113287507
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 107302780
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760117
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83144029
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol
CID 106131673
4-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]butan-2-amine
CID 83187571
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methylhexan-1-amine
CID 113287461
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81016090
3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 66007024
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749615
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol (CID 107302795) is 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol is Cc1nn(C)c(CNCCCC(C)O)c1Br.
What is the InChIKey of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol?
The InChIKey is IDWJGEKNLZQGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-8(16)5-4-6-13-7-10-11(12)9(2)14-15(10)3/h8,13,16H,4-7H2,1-3H3.
What are the key properties of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol?
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol has a molecular weight of 290.20 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 107302795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).