N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine

C12H20BrN3 — CID 114666764

IUPACN-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine
SMILESCCn1ncc(Br)c1C(C)CCNC1CC1
InChIInChI=1S/C12H20BrN3/c1-3-16-12(11(13)8-15-16)9(2)6-7-14-10-4-5-10/h8-10,14H,3-7H2,1-2H3
InChIKeyAKAUYDZTIUGMRX-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine

N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine (PubChem CID 114666764) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine
PubChem CID114666764
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC NameN-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine
SMILESCCn1ncc(Br)c1C(C)CCNC1CC1
InChIInChI=1S/C12H20BrN3/c1-3-16-12(11(13)8-15-16)9(2)6-7-14-10-4-5-10/h8-10,14H,3-7H2,1-2H3
InChIKeyAKAUYDZTIUGMRX-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
CID 114666758
N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666766
N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
CID 81020228
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 114655546
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105183011
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
CID 114666706
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
CID 114666856
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine (CID 114666764) is N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine is CCn1ncc(Br)c1C(C)CCNC1CC1.
What is the InChIKey of N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine?
The InChIKey is AKAUYDZTIUGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-16-12(11(13)8-15-16)9(2)6-7-14-10-4-5-10/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine?
N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine has a molecular weight of 286.22 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114666764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).