2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

C14H25BrN4 — CID 107190968

IUPAC2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCC1CCCC1C(N)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C14H25BrN4/c1-10-5-4-6-11(10)13(16)14-12(15)9-17-19(14)8-7-18(2)3/h9-11,13H,4-8,16H2,1-3H3
InChIKeyYIGFQMZTHIATEO-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.64
Rot. Bonds5

About 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 107190968) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID107190968
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCC1CCCC1C(N)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C14H25BrN4/c1-10-5-4-6-11(10)13(16)14-12(15)9-17-19(14)8-7-18(2)3/h9-11,13H,4-8,16H2,1-3H3
InChIKeyYIGFQMZTHIATEO-UHFFFAOYSA-N
XLogP2.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040993
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
2-[5-[amino-(4-methylthiomorpholin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 106444624
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
2-[5-[2-bicyclo[2.2.1]heptanyl(hydrazinyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105266654
2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336500
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656523
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
CID 114666856
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1,1-dioxothian-2-yl)methanol
CID 115834953

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (CID 107190968) is 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is CC1CCCC1C(N)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is YIGFQMZTHIATEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-10-5-4-6-11(10)13(16)14-12(15)9-17-19(14)8-7-18(2)3/h9-11,13H,4-8,16H2,1-3H3.
What are the key properties of 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 329.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 107190968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).