N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine

C14H17BrClN3 — CID 82774489

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClN3/c1-10(9-19-7-3-6-17-19)18-11(2)13-5-4-12(15)8-14(13)16/h3-8,10-11,18H,9H2,1-2H3
InChIKeyZKZOZDRDXNYRKH-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 82774489) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID82774489
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClN3/c1-10(9-19-7-3-6-17-19)18-11(2)13-5-4-12(15)8-14(13)16/h3-8,10-11,18H,9H2,1-2H3
InChIKeyZKZOZDRDXNYRKH-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43749288
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82775803
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 65485763
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
N-[1-(2-nitrophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749316
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
2-chloro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 62945904
(2S)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 97341577

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine (CID 82774489) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is ZKZOZDRDXNYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-10(9-19-7-3-6-17-19)18-11(2)13-5-4-12(15)8-14(13)16/h3-8,10-11,18H,9H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 342.67 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 82774489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).