N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine

C15H18BrN3 — CID 66440971

IUPACN-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1c(CNC2CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3/c1-2-15-11(9-17-13-5-6-13)10-18-19(15)14-7-3-12(16)4-8-14/h3-4,7-8,10,13,17H,2,5-6,9H2,1H3
InChIKeyLORJRSDGHQSGEY-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.45
Rot. Bonds5

About N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66440971) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66440971
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1c(CNC2CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3/c1-2-15-11(9-17-13-5-6-13)10-18-19(15)14-7-3-12(16)4-8-14/h3-4,7-8,10,13,17H,2,5-6,9H2,1H3
InChIKeyLORJRSDGHQSGEY-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(4-bromophenyl)-5-ethylpyrazole
CID 66439260
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440578
N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440205
N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440239
N-[(1-cyclopentyl-5-ethylpyrazol-4-yl)methyl]cyclopropanamine
CID 66441337
1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
CID 166934661
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66441666
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66441277

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine (CID 66440971) is N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine is CCc1c(CNC2CC2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is LORJRSDGHQSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-15-11(9-17-13-5-6-13)10-18-19(15)14-7-3-12(16)4-8-14/h3-4,7-8,10,13,17H,2,5-6,9H2,1H3.
What are the key properties of N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 320.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66440971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).