(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine

C16H16BrN3 — CID 115816373

IUPAC(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2ccc3cc(Br)ccc3c2)cn1
InChIInChI=1S/C16H16BrN3/c1-2-20-10-14(9-19-20)16(18)13-4-3-12-8-15(17)6-5-11(12)7-13/h3-10,16H,2,18H2,1H3
InChIKeyKWRKMXPJSWKQDH-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.87
Rot. Bonds3

About (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine

(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 115816373) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID115816373
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2ccc3cc(Br)ccc3c2)cn1
InChIInChI=1S/C16H16BrN3/c1-2-20-10-14(9-19-20)16(18)13-4-3-12-8-15(17)6-5-11(12)7-13/h3-10,16H,2,18H2,1H3
InChIKeyKWRKMXPJSWKQDH-UHFFFAOYSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816422
(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106754993
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
CID 115354391
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
1-(6-bromonaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965347

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine (CID 115816373) is (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine is CCn1cc(C(N)c2ccc3cc(Br)ccc3c2)cn1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is KWRKMXPJSWKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-2-20-10-14(9-19-20)16(18)13-4-3-12-8-15(17)6-5-11(12)7-13/h3-10,16H,2,18H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine?
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 330.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115816373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).