N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine

C15H20BrN3 — CID 61270971

IUPACN-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(-c2cccc(Br)c2)c(C)c1CNC(C)C
InChIInChI=1S/C15H20BrN3/c1-10(2)17-9-15-11(3)18-19(12(15)4)14-7-5-6-13(16)8-14/h5-8,10,17H,9H2,1-4H3
InChIKeyAVWCUHBAMPNIEG-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.75
Rot. Bonds4

About N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 61270971) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID61270971
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(-c2cccc(Br)c2)c(C)c1CNC(C)C
InChIInChI=1S/C15H20BrN3/c1-10(2)17-9-15-11(3)18-19(12(15)4)14-7-5-6-13(16)8-14/h5-8,10,17H,9H2,1-4H3
InChIKeyAVWCUHBAMPNIEG-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
N-[[3,5-dimethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 79204319
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]propan-2-amine
CID 24716253
N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 119164766
N-[[3,5-dimethyl-1-(3-methylsulfanylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760444
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 79170217
1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671298
(1S,4R)-N-benzyl-4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-amine
CID 163168317
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 104801141
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 134014073

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 61270971) is N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is Cc1nn(-c2cccc(Br)c2)c(C)c1CNC(C)C.
What is the InChIKey of N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is AVWCUHBAMPNIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)17-9-15-11(3)18-19(12(15)4)14-7-5-6-13(16)8-14/h5-8,10,17H,9H2,1-4H3.
What are the key properties of N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61270971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).