N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine

C13H15Br2N3 — CID 115881219

IUPACN-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NCc2ccc(Br)c(Br)c2)cn1
InChIInChI=1S/C13H15Br2N3/c1-9(2)18-8-11(7-17-18)16-6-10-3-4-12(14)13(15)5-10/h3-5,7-9,16H,6H2,1-2H3
InChIKeyOVDIDUKDKJCNHK-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.60
Rot. Bonds4

About N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 115881219) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID115881219
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NCc2ccc(Br)c(Br)c2)cn1
InChIInChI=1S/C13H15Br2N3/c1-9(2)18-8-11(7-17-18)16-6-10-3-4-12(14)13(15)5-10/h3-5,7-9,16H,6H2,1-2H3
InChIKeyOVDIDUKDKJCNHK-UHFFFAOYSA-N
XLogP4.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3-nitrophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62903195
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902650
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 63271073
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 115881219) is N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NCc2ccc(Br)c(Br)c2)cn1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is OVDIDUKDKJCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-9(2)18-8-11(7-17-18)16-6-10-3-4-12(14)13(15)5-10/h3-5,7-9,16H,6H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 373.09 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 115881219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).