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

C16H22BrN3O — CID 65327317

IUPAC1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(Cc2cc(OC)ccc2Br)c1C
InChIInChI=1S/C16H22BrN3O/c1-5-15(18)16-10(2)19-20(11(16)3)9-12-8-13(21-4)6-7-14(12)17/h6-8,15H,5,9,18H2,1-4H3
InChIKeyUSMIRZUINXAKRQ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.73
Rot. Bonds5

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

1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 65327317) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID65327317
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(Cc2cc(OC)ccc2Br)c1C
InChIInChI=1S/C16H22BrN3O/c1-5-15(18)16-10(2)19-20(11(16)3)9-12-8-13(21-4)6-7-14(12)17/h6-8,15H,5,9,18H2,1-4H3
InChIKeyUSMIRZUINXAKRQ-UHFFFAOYSA-N
XLogP3.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-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

1-[(2-bromo-5-methoxyphenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 65326882
2-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 65322784
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
1-[(2-bromo-5-methoxyphenyl)methyl]-4-butan-2-ylpiperazine
CID 65326018
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
1-[1-(2-bromo-5-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 106227192
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]butanenitrile
CID 65323423
1-(2-bromo-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105100011
2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65325876
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 65327317) is 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine is CCC(N)c1c(C)nn(Cc2cc(OC)ccc2Br)c1C.
What is the InChIKey of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is USMIRZUINXAKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-15(18)16-10(2)19-20(11(16)3)9-12-8-13(21-4)6-7-14(12)17/h6-8,15H,5,9,18H2,1-4H3.
What are the key properties of 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 352.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 65327317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).