2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine

C17H24BrN3 — CID 62516151

IUPAC2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cnn(C)c1)Cc1ccccc1Br
InChIInChI=1S/C17H24BrN3/c1-13(2)19-10-14(8-15-11-20-21(3)12-15)9-16-6-4-5-7-17(16)18/h4-7,11-14,19H,8-10H2,1-3H3
InChIKeyNYDIKRJHHOADBL-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.58
Rot. Bonds7

About 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine

2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62516151) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62516151
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cnn(C)c1)Cc1ccccc1Br
InChIInChI=1S/C17H24BrN3/c1-13(2)19-10-14(8-15-11-20-21(3)12-15)9-16-6-4-5-7-17(16)18/h4-7,11-14,19H,8-10H2,1-3H3
InChIKeyNYDIKRJHHOADBL-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014397
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 103014294
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanoic acid
CID 55040758
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
3-methyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 81020328
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine (CID 62516151) is 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1cnn(C)c1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NYDIKRJHHOADBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-13(2)19-10-14(8-15-11-20-21(3)12-15)9-16-6-4-5-7-17(16)18/h4-7,11-14,19H,8-10H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine?
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62516151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).