N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine

C15H20BrN3 — CID 115464341

IUPACN-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1Cn1cc(Br)cn1
InChIInChI=1S/C15H20BrN3/c1-12(2)17-8-7-13-5-3-4-6-14(13)10-19-11-15(16)9-18-19/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyUPEIAGVPNCRQSS-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine

N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 115464341) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID115464341
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1Cn1cc(Br)cn1
InChIInChI=1S/C15H20BrN3/c1-12(2)17-8-7-13-5-3-4-6-14(13)10-19-11-15(16)9-18-19/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyUPEIAGVPNCRQSS-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-bromopyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62441739
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-N-methylethanamine
CID 115464339
4-(4-bromopyrazol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62441912
N-[[3-[(4-bromopyrazol-1-yl)methyl]-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62441337
4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 130703277
N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348677
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
CID 62442905
(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
CID 97229759
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895020
N-[2-(2-phenylphenyl)ethyl]propan-2-amine
CID 144862405

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 115464341) is N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1Cn1cc(Br)cn1.
What is the InChIKey of N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is UPEIAGVPNCRQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-12(2)17-8-7-13-5-3-4-6-14(13)10-19-11-15(16)9-18-19/h3-6,9,11-12,17H,7-8,10H2,1-2H3.
What are the key properties of N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).