1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol

C9H14BrN3O — CID 114665859

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
SMILESCn1ncc(Br)c1C(O)CNC1CC1
InChIInChI=1S/C9H14BrN3O/c1-13-9(7(10)4-12-13)8(14)5-11-6-2-3-6/h4,6,8,11,14H,2-3,5H2,1H3
InChIKeyVVCSXMGQYIUYCU-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.97
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol

1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol (PubChem CID 114665859) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
PubChem CID114665859
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
SMILESCn1ncc(Br)c1C(O)CNC1CC1
InChIInChI=1S/C9H14BrN3O/c1-13-9(7(10)4-12-13)8(14)5-11-6-2-3-6/h4,6,8,11,14H,2-3,5H2,1H3
InChIKeyVVCSXMGQYIUYCU-UHFFFAOYSA-N
XLogP0.97
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666766
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665852
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
CID 114666856
(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
CID 114635530
1-(4-bromo-1-methylpyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638589
N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666764
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
CID 114666758

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol (CID 114665859) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol is Cn1ncc(Br)c1C(O)CNC1CC1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
The InChIKey is VVCSXMGQYIUYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-13-9(7(10)4-12-13)8(14)5-11-6-2-3-6/h4,6,8,11,14H,2-3,5H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol has a molecular weight of 260.13 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 114665859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).