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

C16H23BrN4 — CID 114660062

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1CC)c1c(Br)cnn1CC
InChIInChI=1S/C16H23BrN4/c1-4-9-18-15(14-12(5-2)8-7-10-19-14)16-13(17)11-20-21(16)6-3/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyGXEJIIWCAZXGQY-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.71
Rot. Bonds7

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

N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 114660062) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID114660062
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1CC)c1c(Br)cnn1CC
InChIInChI=1S/C16H23BrN4/c1-4-9-18-15(14-12(5-2)8-7-10-19-14)16-13(17)11-20-21(16)6-3/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyGXEJIIWCAZXGQY-UHFFFAOYSA-N
XLogP3.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263858
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114657636
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646982
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043
N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 82740765
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 105040135
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-bromofuran-3-yl)methyl]propan-1-amine
CID 106858618
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105182840
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105182831
N-[(5-bromo-2-fluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733080

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine (CID 114660062) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ncccc1CC)c1c(Br)cnn1CC.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is GXEJIIWCAZXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-4-9-18-15(14-12(5-2)8-7-10-19-14)16-13(17)11-20-21(16)6-3/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 351.29 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114660062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).