N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine

C15H27BrN4 — CID 114666856

IUPACN-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H27BrN4/c1-11(9-17-13-5-6-13)12(2)15-14(16)10-18-20(15)8-7-19(3)4/h10-13,17H,5-9H2,1-4H3
InChIKeyFCEGCSOZXFYXLL-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.70
Rot. Bonds8

About N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine

N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine (PubChem CID 114666856) has the molecular formula C15H27BrN4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
PubChem CID114666856
Molecular FormulaC15H27BrN4
Molecular Weight343.31 g/mol
Exact Mass342.14
IUPAC NameN-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H27BrN4/c1-11(9-17-13-5-6-13)12(2)15-14(16)10-18-20(15)8-7-19(3)4/h10-13,17H,5-9H2,1-4H3
InChIKeyFCEGCSOZXFYXLL-UHFFFAOYSA-N
XLogP2.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
CID 114666758
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107190968
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
CID 114665884
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)butan-2-amine
CID 114663040
3-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114666827
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 114666885
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
2-[5-[2-bicyclo[2.2.1]heptanyl(hydrazinyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105266654
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylpropan-1-one
CID 115804269

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine (CID 114666856) is N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine?
The InChIKey is FCEGCSOZXFYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4/c1-11(9-17-13-5-6-13)12(2)15-14(16)10-18-20(15)8-7-19(3)4/h10-13,17H,5-9H2,1-4H3.
What are the key properties of N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine?
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine has a molecular weight of 343.31 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 114666856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).