N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

C15H24BrN5 — CID 114536466

IUPACN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCCc1nn(C)c(CNCCCn2nc(C)cc2C)c1Br
InChIInChI=1S/C15H24BrN5/c1-5-13-15(16)14(20(4)19-13)10-17-7-6-8-21-12(3)9-11(2)18-21/h9,17H,5-8,10H2,1-4H3
InChIKeyICPFDEXRNNGXRA-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.74
Rot. Bonds7

About N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 114536466) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID114536466
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCCc1nn(C)c(CNCCCn2nc(C)cc2C)c1Br
InChIInChI=1S/C15H24BrN5/c1-5-13-15(16)14(20(4)19-13)10-17-7-6-8-21-12(3)9-11(2)18-21/h9,17H,5-8,10H2,1-4H3
InChIKeyICPFDEXRNNGXRA-UHFFFAOYSA-N
XLogP2.74
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]octan-1-amine
CID 115567685
5-bromo-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 107320285
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-iodohexan-1-amine
CID 114008204
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pent-4-yn-1-amine
CID 106221303
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
N-[(3-bromo-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115572090
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115609211
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 86808394
N-[(3-bromo-4-methoxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78804313
N-[(2-bromo-5-methoxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115751532
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 114536466) is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is CCc1nn(C)c(CNCCCn2nc(C)cc2C)c1Br.
What is the InChIKey of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is ICPFDEXRNNGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-5-13-15(16)14(20(4)19-13)10-17-7-6-8-21-12(3)9-11(2)18-21/h9,17H,5-8,10H2,1-4H3.
What are the key properties of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 354.30 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 114536466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).