N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine

C15H24BrN3 — CID 102641182

IUPACN-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C15H24BrN3/c1-5-12-14(16)13(19(4)18-12)9-15(3,6-2)10-17-11-7-8-11/h6,11,17H,2,5,7-10H2,1,3-4H3
InChIKeyHYIDCNFDLODEPB-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.23
Rot. Bonds7

About N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine

N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641182) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641182
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C15H24BrN3/c1-5-12-14(16)13(19(4)18-12)9-15(3,6-2)10-17-11-7-8-11/h6,11,17H,2,5,7-10H2,1,3-4H3
InChIKeyHYIDCNFDLODEPB-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-{[(1r,3r)-3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropyl]methyl}-1-ethyl-3,5-dimethyl-1h-pyrazole
CID 170458521
3-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 19618223
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 65855627
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 65855829
1-(4-Bromo-1,3-diethylpyrazol-5-yl)-4,4,4-trifluorobutan-2-amine
CID 65887234
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 65887236
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 65887429
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 65887621
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 65889770
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 65892741
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 65892743
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 65901537

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine (CID 102641182) is N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1c(Br)c(CC)nn1C.
What is the InChIKey of N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is HYIDCNFDLODEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-5-12-14(16)13(19(4)18-12)9-15(3,6-2)10-17-11-7-8-11/h6,11,17H,2,5,7-10H2,1,3-4H3.
What are the key properties of N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 326.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).