N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine

C17H22BrN3 — CID 79224432

IUPACN-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(-c2ccccc2Br)c(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H22BrN3/c1-11(10-19-14-8-9-14)17-12(2)20-21(13(17)3)16-7-5-4-6-15(16)18/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyWDQDEVHMOAJSGQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.11
Rot. Bonds5

About N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine

N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine (PubChem CID 79224432) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
PubChem CID79224432
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(-c2ccccc2Br)c(C)c1C(C)CNC1CC1
InChIInChI=1S/C17H22BrN3/c1-11(10-19-14-8-9-14)17-12(2)20-21(13(17)3)16-7-5-4-6-15(16)18/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyWDQDEVHMOAJSGQ-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine (CID 79224432) is N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine is Cc1nn(-c2ccccc2Br)c(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
The InChIKey is WDQDEVHMOAJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-11(10-19-14-8-9-14)17-12(2)20-21(13(17)3)16-7-5-4-6-15(16)18/h4-7,11,14,19H,8-10H2,1-3H3.
What are the key properties of N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine has a molecular weight of 348.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine is sourced from PubChem (CID 79224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).