N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine

C16H23BrN4 — CID 107431144

IUPACN-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1nn(-c2ccc(Br)cn2)c(CC)c1CNC(C)C
InChIInChI=1S/C16H23BrN4/c1-5-14-13(10-18-11(3)4)15(6-2)21(20-14)16-8-7-12(17)9-19-16/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyWOAAKBRRWHPMBV-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.65
Rot. Bonds6

About N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 107431144) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID107431144
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1nn(-c2ccc(Br)cn2)c(CC)c1CNC(C)C
InChIInChI=1S/C16H23BrN4/c1-5-14-13(10-18-11(3)4)15(6-2)21(20-14)16-8-7-12(17)9-19-16/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyWOAAKBRRWHPMBV-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702781
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440011
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
N-[[1-(4-bromo-2-methylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431168
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
[1-(5-bromo-2-pyridinyl)-5-ethylpyrazol-4-yl]methanol
CID 66437696
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107431163
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66440209
3,5-diethyl-1-(5-methyl-2-pyridinyl)pyrazol-4-amine
CID 82702145
N-[2-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225803
3-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225163

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine (CID 107431144) is N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine is CCc1nn(-c2ccc(Br)cn2)c(CC)c1CNC(C)C.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is WOAAKBRRWHPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-5-14-13(10-18-11(3)4)15(6-2)21(20-14)16-8-7-12(17)9-19-16/h7-9,11,18H,5-6,10H2,1-4H3.
What are the key properties of N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 351.29 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107431144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).