N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C17H24BrN3 — CID 60932836

IUPACN-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C(C)C)c1C)c1cccc(Br)c1
InChIInChI=1S/C17H24BrN3/c1-6-16(14-8-7-9-15(18)10-14)19-17-12(4)20-21(11(2)3)13(17)5/h7-11,16,19H,6H2,1-5H3
InChIKeyGIEUZTMVSWGMHN-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.41
Rot. Bonds5

About N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 60932836) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID60932836
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C(C)C)c1C)c1cccc(Br)c1
InChIInChI=1S/C17H24BrN3/c1-6-16(14-8-7-9-15(18)10-14)19-17-12(4)20-21(11(2)3)13(17)5/h7-11,16,19H,6H2,1-5H3
InChIKeyGIEUZTMVSWGMHN-UHFFFAOYSA-N
XLogP5.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 114871423
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
5-N-[1-(3-bromophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027953
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
CID 43758454
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
CID 83081335
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 60932836) is N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is CCC(Nc1c(C)nn(C(C)C)c1C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is GIEUZTMVSWGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-6-16(14-8-7-9-15(18)10-14)19-17-12(4)20-21(11(2)3)13(17)5/h7-11,16,19H,6H2,1-5H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 350.30 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 60932836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).