N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

C17H24BrN3 — CID 115857441

IUPACN-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1C)c1ccnn1CCC
InChIInChI=1S/C17H24BrN3/c1-4-10-19-17(14-7-6-8-15(18)13(14)3)16-9-11-20-21(16)12-5-2/h6-9,11,17,19H,4-5,10,12H2,1-3H3
InChIKeyKSQGDNKIZHBTLU-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.45
Rot. Bonds7

About N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 115857441) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID115857441
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1C)c1ccnn1CCC
InChIInChI=1S/C17H24BrN3/c1-4-10-19-17(14-7-6-8-15(18)13(14)3)16-9-11-20-21(16)12-5-2/h6-9,11,17,19H,4-5,10,12H2,1-3H3
InChIKeyKSQGDNKIZHBTLU-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
N-[(3-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857450
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 102803708
N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63976817
N-[(2,5-dimethylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 105148161
N-[(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107968268
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858738
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 115857441) is N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(Br)c1C)c1ccnn1CCC.
What is the InChIKey of N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is KSQGDNKIZHBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-10-19-17(14-7-6-8-15(18)13(14)3)16-9-11-20-21(16)12-5-2/h6-9,11,17,19H,4-5,10,12H2,1-3H3.
What are the key properties of N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115857441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).